{
 "license": "https://creativecommons.org/licenses/by/4.0/",
 "id": "incensole-acetate",
 "type": "Molecule",
 "version": 2,
 "updated": "2026-09-30",
 "station": 4,
 "confidence": "A",
 "sources": [
  "PUBCHEM-53386731",
  "GC-16",
  "GC-17"
 ],
 "notes": "Identity fetched from PubChem by Lane 11 (2026-09-30); raw responses in reports/plan-steps/step7/pubchem/. PubChem now lists a CAS for it, 34701-53-6, which resolves back to this CID (Lane 10 recorded “no CAS” from data/p2/science/molecules.json, which holds incensole, CID 44583885, not the acetate). In mice it activates TRPV3 channels (docs/sources/GC-17-moussaieff-2008-incensole-acetate.md:16); nothing is claimed for people.",
 "name": {
  "value": "incensole acetate",
  "evidence": "documented",
  "source": "PUBCHEM-53386731",
  "where": "reports/plan-steps/step7/pubchem/cid-53386731.property.json:11",
  "quote": "Incensole acetate",
  "confidence": "A"
 },
 "cas": {
  "value": "34701-53-6",
  "evidence": "documented",
  "source": "PUBCHEM-53386731",
  "where": "reports/plan-steps/step7/pubchem/cid-53386731.synonyms.json:8",
  "quote": "34701-53-6",
  "confidence": "A",
  "note": "among the CID’s PubChem synonyms, and PubChem resolves it back to this CID"
 },
 "pubchem_cid": {
  "value": 53386731,
  "evidence": "documented",
  "source": "PUBCHEM-53386731",
  "where": "reports/plan-steps/step7/pubchem/cid-53386731.property.json:5",
  "confidence": "A"
 },
 "formula": {
  "value": "C22H36O3",
  "evidence": "documented",
  "source": "PUBCHEM-53386731",
  "where": "reports/plan-steps/step7/pubchem/cid-53386731.property.json:6",
  "confidence": "A"
 },
 "molecular_weight": {
  "value": 348.5,
  "evidence": "documented",
  "source": "PUBCHEM-53386731",
  "where": "reports/plan-steps/step7/pubchem/cid-53386731.property.json:7",
  "confidence": "A",
  "note": "g/mol, as PubChem states it"
 },
 "iupac_name": {
  "value": "[(1R,2S,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] acetate",
  "evidence": "documented",
  "source": "PUBCHEM-53386731",
  "where": "reports/plan-steps/step7/pubchem/cid-53386731.property.json:10",
  "confidence": "A"
 },
 "smiles": {
  "value": "C/C/1=C\\CC/C(=C/C[C@@]2(CC[C@@](O2)([C@H](CC1)OC(=O)C)C)C(C)C)/C",
  "evidence": "documented",
  "source": "PUBCHEM-53386731",
  "where": "reports/plan-steps/step7/pubchem/cid-53386731.property.json:8",
  "confidence": "A"
 },
 "inchikey": {
  "value": "HVBACKJYWZTKCA-XSLBTUIJSA-N",
  "evidence": "documented",
  "source": "PUBCHEM-53386731",
  "where": "reports/plan-steps/step7/pubchem/cid-53386731.property.json:9",
  "confidence": "A"
 },
 "conformer": {
  "kind": "PubChem computed 3D conformer",
  "conformer_id": "032E9DEB00000001",
  "units": "angstrom",
  "evidence": "modeled",
  "source": "PUBCHEM-53386731",
  "where": "reports/plan-steps/step7/pubchem/cid-53386731.3d.sdf:206",
  "note": "PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure",
  "atoms": [
   {
    "i": 1,
    "el": "O",
    "xyz": [
     -0.9357,
     -0.666,
     -0.5888
    ]
   },
   {
    "i": 2,
    "el": "O",
    "xyz": [
     2.4692,
     -1.8053,
     0.1129
    ]
   },
   {
    "i": 3,
    "el": "O",
    "xyz": [
     3.5032,
     -0.0713,
     1.2357
    ]
   },
   {
    "i": 4,
    "el": "C",
    "xyz": [
     -1.9863,
     -0.9871,
     0.3509
    ]
   },
   {
    "i": 5,
    "el": "C",
    "xyz": [
     0.1238,
     -1.6411,
     -0.5165
    ]
   },
   {
    "i": 6,
    "el": "C",
    "xyz": [
     -1.7035,
     -2.4191,
     0.8093
    ]
   },
   {
    "i": 7,
    "el": "C",
    "xyz": [
     -0.1941,
     -2.493,
     0.7217
    ]
   },
   {
    "i": 8,
    "el": "C",
    "xyz": [
     -3.3239,
     -0.894,
     -0.384
    ]
   },
   {
    "i": 9,
    "el": "C",
    "xyz": [
     1.4774,
     -0.8966,
     -0.3831
    ]
   },
   {
    "i": 10,
    "el": "C",
    "xyz": [
     -1.929,
     -0.0117,
     1.561
    ]
   },
   {
    "i": 11,
    "el": "C",
    "xyz": [
     0.0449,
     -2.5146,
     -1.779
    ]
   },
   {
    "i": 12,
    "el": "C",
    "xyz": [
     2.0686,
     -0.2485,
     -1.6519
    ]
   },
   {
    "i": 13,
    "el": "C",
    "xyz": [
     -3.3404,
     -1.8345,
     -1.5861
    ]
   },
   {
    "i": 14,
    "el": "C",
    "xyz": [
     -4.4778,
     -1.2107,
     0.5634
    ]
   },
   {
    "i": 15,
    "el": "C",
    "xyz": [
     -1.7548,
     1.4281,
     1.1597
    ]
   },
   {
    "i": 16,
    "el": "C",
    "xyz": [
     1.2476,
     0.8349,
     -2.363
    ]
   },
   {
    "i": 17,
    "el": "C",
    "xyz": [
     -0.7805,
     2.2709,
     1.5585
    ]
   },
   {
    "i": 18,
    "el": "C",
    "xyz": [
     0.9682,
     2.0911,
     -1.5625
    ]
   },
   {
    "i": 19,
    "el": "C",
    "xyz": [
     -0.5694,
     3.6228,
     0.896
    ]
   },
   {
    "i": 20,
    "el": "C",
    "xyz": [
     3.4211,
     -1.2484,
     0.9117
    ]
   },
   {
    "i": 21,
    "el": "C",
    "xyz": [
     -0.801,
     3.703,
     -0.6258
    ]
   },
   {
    "i": 22,
    "el": "C",
    "xyz": [
     -0.2984,
     2.5274,
     -1.423
    ]
   },
   {
    "i": 23,
    "el": "C",
    "xyz": [
     0.2204,
     1.9638,
     2.641
    ]
   },
   {
    "i": 24,
    "el": "C",
    "xyz": [
     2.1666,
     2.8089,
     -1.0103
    ]
   },
   {
    "i": 25,
    "el": "C",
    "xyz": [
     4.3838,
     -2.3092,
     1.3522
    ]
   },
   {
    "i": 26,
    "el": "H",
    "xyz": [
     -2.1161,
     -3.2034,
     0.1747
    ]
   },
   {
    "i": 27,
    "el": "H",
    "xyz": [
     -2.0615,
     -2.6218,
     1.8247
    ]
   },
   {
    "i": 28,
    "el": "H",
    "xyz": [
     0.2445,
     -2.0524,
     1.6252
    ]
   },
   {
    "i": 29,
    "el": "H",
    "xyz": [
     0.1779,
     -3.5203,
     0.6504
    ]
   },
   {
    "i": 30,
    "el": "H",
    "xyz": [
     -3.4624,
     0.118,
     -0.7838
    ]
   },
   {
    "i": 31,
    "el": "H",
    "xyz": [
     1.3138,
     -0.0974,
     0.3524
    ]
   },
   {
    "i": 32,
    "el": "H",
    "xyz": [
     -1.0771,
     -0.3076,
     2.1796
    ]
   },
   {
    "i": 33,
    "el": "H",
    "xyz": [
     -2.7965,
     -0.1078,
     2.2189
    ]
   },
   {
    "i": 34,
    "el": "H",
    "xyz": [
     -0.0067,
     -1.9076,
     -2.6879
    ]
   },
   {
    "i": 35,
    "el": "H",
    "xyz": [
     -0.8454,
     -3.15,
     -1.7867
    ]
   },
   {
    "i": 36,
    "el": "H",
    "xyz": [
     0.9129,
     -3.1786,
     -1.8508
    ]
   },
   {
    "i": 37,
    "el": "H",
    "xyz": [
     2.291,
     -1.0412,
     -2.3789
    ]
   },
   {
    "i": 38,
    "el": "H",
    "xyz": [
     3.0572,
     0.1665,
     -1.415
    ]
   },
   {
    "i": 39,
    "el": "H",
    "xyz": [
     -4.2596,
     -1.6579,
     -2.1599
    ]
   },
   {
    "i": 40,
    "el": "H",
    "xyz": [
     -2.5209,
     -1.6342,
     -2.2801
    ]
   },
   {
    "i": 41,
    "el": "H",
    "xyz": [
     -3.3594,
     -2.8962,
     -1.3327
    ]
   },
   {
    "i": 42,
    "el": "H",
    "xyz": [
     -4.638,
     -0.4188,
     1.3
    ]
   },
   {
    "i": 43,
    "el": "H",
    "xyz": [
     -5.4149,
     -1.287,
     -0.0012
    ]
   },
   {
    "i": 44,
    "el": "H",
    "xyz": [
     -4.3469,
     -2.1602,
     1.091
    ]
   },
   {
    "i": 45,
    "el": "H",
    "xyz": [
     -2.4662,
     1.7832,
     0.4181
    ]
   },
   {
    "i": 46,
    "el": "H",
    "xyz": [
     1.7994,
     1.1367,
     -3.2636
    ]
   },
   {
    "i": 47,
    "el": "H",
    "xyz": [
     0.3149,
     0.3945,
     -2.7329
    ]
   },
   {
    "i": 48,
    "el": "H",
    "xyz": [
     0.4638,
     3.9426,
     1.084
    ]
   },
   {
    "i": 49,
    "el": "H",
    "xyz": [
     -1.2007,
     4.3657,
     1.3997
    ]
   },
   {
    "i": 50,
    "el": "H",
    "xyz": [
     -0.3644,
     4.6295,
     -1.0184
    ]
   },
   {
    "i": 51,
    "el": "H",
    "xyz": [
     -1.88,
     3.7934,
     -0.8087
    ]
   },
   {
    "i": 52,
    "el": "H",
    "xyz": [
     -1.0901,
     1.953,
     -1.9035
    ]
   },
   {
    "i": 53,
    "el": "H",
    "xyz": [
     0.319,
     2.824,
     3.3128
    ]
   },
   {
    "i": 54,
    "el": "H",
    "xyz": [
     -0.063,
     1.1177,
     3.2709
    ]
   },
   {
    "i": 55,
    "el": "H",
    "xyz": [
     1.2013,
     1.7563,
     2.2025
    ]
   },
   {
    "i": 56,
    "el": "H",
    "xyz": [
     2.9545,
     2.8697,
     -1.7687
    ]
   },
   {
    "i": 57,
    "el": "H",
    "xyz": [
     1.9422,
     3.8365,
     -0.7119
    ]
   },
   {
    "i": 58,
    "el": "H",
    "xyz": [
     2.5639,
     2.2799,
     -0.1393
    ]
   },
   {
    "i": 59,
    "el": "H",
    "xyz": [
     5.1453,
     -1.8623,
     1.9977
    ]
   },
   {
    "i": 60,
    "el": "H",
    "xyz": [
     3.8538,
     -3.0779,
     1.9202
    ]
   },
   {
    "i": 61,
    "el": "H",
    "xyz": [
     4.8784,
     -2.7458,
     0.4809
    ]
   }
  ],
  "bonds": [
   {
    "a": 1,
    "b": 4,
    "order": 1
   },
   {
    "a": 1,
    "b": 5,
    "order": 1
   },
   {
    "a": 2,
    "b": 9,
    "order": 1
   },
   {
    "a": 2,
    "b": 20,
    "order": 1
   },
   {
    "a": 3,
    "b": 20,
    "order": 2
   },
   {
    "a": 4,
    "b": 6,
    "order": 1
   },
   {
    "a": 4,
    "b": 8,
    "order": 1
   },
   {
    "a": 4,
    "b": 10,
    "order": 1
   },
   {
    "a": 5,
    "b": 7,
    "order": 1
   },
   {
    "a": 5,
    "b": 9,
    "order": 1
   },
   {
    "a": 5,
    "b": 11,
    "order": 1
   },
   {
    "a": 6,
    "b": 7,
    "order": 1
   },
   {
    "a": 6,
    "b": 26,
    "order": 1
   },
   {
    "a": 6,
    "b": 27,
    "order": 1
   },
   {
    "a": 7,
    "b": 28,
    "order": 1
   },
   {
    "a": 7,
    "b": 29,
    "order": 1
   },
   {
    "a": 8,
    "b": 13,
    "order": 1
   },
   {
    "a": 8,
    "b": 14,
    "order": 1
   },
   {
    "a": 8,
    "b": 30,
    "order": 1
   },
   {
    "a": 9,
    "b": 12,
    "order": 1
   },
   {
    "a": 9,
    "b": 31,
    "order": 1
   },
   {
    "a": 10,
    "b": 15,
    "order": 1
   },
   {
    "a": 10,
    "b": 32,
    "order": 1
   },
   {
    "a": 10,
    "b": 33,
    "order": 1
   },
   {
    "a": 11,
    "b": 34,
    "order": 1
   },
   {
    "a": 11,
    "b": 35,
    "order": 1
   },
   {
    "a": 11,
    "b": 36,
    "order": 1
   },
   {
    "a": 12,
    "b": 16,
    "order": 1
   },
   {
    "a": 12,
    "b": 37,
    "order": 1
   },
   {
    "a": 12,
    "b": 38,
    "order": 1
   },
   {
    "a": 13,
    "b": 39,
    "order": 1
   },
   {
    "a": 13,
    "b": 40,
    "order": 1
   },
   {
    "a": 13,
    "b": 41,
    "order": 1
   },
   {
    "a": 14,
    "b": 42,
    "order": 1
   },
   {
    "a": 14,
    "b": 43,
    "order": 1
   },
   {
    "a": 14,
    "b": 44,
    "order": 1
   },
   {
    "a": 15,
    "b": 17,
    "order": 2
   },
   {
    "a": 15,
    "b": 45,
    "order": 1
   },
   {
    "a": 16,
    "b": 18,
    "order": 1
   },
   {
    "a": 16,
    "b": 46,
    "order": 1
   },
   {
    "a": 16,
    "b": 47,
    "order": 1
   },
   {
    "a": 17,
    "b": 19,
    "order": 1
   },
   {
    "a": 17,
    "b": 23,
    "order": 1
   },
   {
    "a": 18,
    "b": 22,
    "order": 2
   },
   {
    "a": 18,
    "b": 24,
    "order": 1
   },
   {
    "a": 19,
    "b": 21,
    "order": 1
   },
   {
    "a": 19,
    "b": 48,
    "order": 1
   },
   {
    "a": 19,
    "b": 49,
    "order": 1
   },
   {
    "a": 20,
    "b": 25,
    "order": 1
   },
   {
    "a": 21,
    "b": 22,
    "order": 1
   },
   {
    "a": 21,
    "b": 50,
    "order": 1
   },
   {
    "a": 21,
    "b": 51,
    "order": 1
   },
   {
    "a": 22,
    "b": 52,
    "order": 1
   },
   {
    "a": 23,
    "b": 53,
    "order": 1
   },
   {
    "a": 23,
    "b": 54,
    "order": 1
   },
   {
    "a": 23,
    "b": 55,
    "order": 1
   },
   {
    "a": 24,
    "b": 56,
    "order": 1
   },
   {
    "a": 24,
    "b": 57,
    "order": 1
   },
   {
    "a": 24,
    "b": 58,
    "order": 1
   },
   {
    "a": 25,
    "b": 59,
    "order": 1
   },
   {
    "a": 25,
    "b": 60,
    "order": 1
   },
   {
    "a": 25,
    "b": 61,
    "order": 1
   }
  ]
 },
 "descriptors": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no descriptor on record: no house wording on a data file, no descriptor source filed"
 },
 "threshold": {
  "value": null,
  "unit": null,
  "medium": null,
  "method": null,
  "evidence": null,
  "source": null,
  "where": null,
  "date": null,
  "confidence": null,
  "note": "no odour-threshold measurement is filed: OT-1 has no entry and the study on file (GC-17) measures pharmacology, not odour (Lane 14, 2026-09-30)"
 },
 "occurrence": [
  {
   "material": "frankincense-resin",
   "share": {
    "value": null,
    "evidence": null,
    "source": null,
    "where": null,
    "confidence": null,
    "note": "no share on record"
   },
   "evidence": "documented",
   "source": "GC-16",
   "where": "docs/sources/GC-16-miran-2022-boswellia-sacra.md:19",
   "quote": "Four new cembrane-type diterpenoids, including boscartins (16–19), together with five known compounds (1S, 3 R, 11S, 12 R, 7E)-1,12-epoxy-4-methylenecembr-7-ene-3,11-diol (20), isoincensole oxide (21), incensole oxide (22), incensole acetate (23), and incensole oxide acetate (24) were isolated from B. sacra gum resin by Wang et al.",
   "note": "isolated from B. sacra gum resin (cited by GC-16)",
   "confidence": "B"
  }
 ],
 "volatility_class": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "data/1b/volatility.json (modeled) has no entry for incensole acetate"
 },
 "regulation": {
  "value": null,
  "evidence": null,
  "source": null,
  "where": null,
  "confidence": null,
  "note": "no Regulation record yet"
 },
 "media": [],
 "links": {
  "material": "/material/frankincense-resin",
  "essay": "/materials#origin-frankincense"
 },
 "copy": {
  "lede": "Incensole acetate, C22H36O3, is the diterpene the house’s frankincense essay names as its key compound. Its identity is PubChem’s; it has been isolated from Boswellia sacra resin.",
  "body": [
   "A study in mice found that it activates TRPV3 channels in the brain, with anxiolytic-like effects; its authors suggest this “may” bear on religious traditions. What it means for people burning the resin is not established."
  ]
 }
}