Cannabinol
PubChem CID: 2543
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| Compound Synonyms | cannabinol, 521-35-7, Cannabinolo [DCIT], Cannabinolo, Cannabinolum, Cannabinolum [INN-Latin], Cannabinol [INN:BAN], 6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol, NSC 134455, 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol, 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo(b,d)pyran, 6H-Dibenzo(b,d)pyran-1-ol, 6,6,9-trimethyl-3-pentyl-, 7UYP6MC9GH, 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol, Cannabinol (CBN), NSC-134455, BRN 0237145, DTXSID3048996, CANNABINOL [MI], CANNABINOL [INN], CANNABINOL [WHO-DD], CHEMBL74415, 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl-, CHEBI:3360, DTXCID3028922, 5-17-04-00567 (Beilstein Handbook Reference), NSC134455, 6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol, 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran, NCGC00168261-01, Cannabinolum (INN-Latin), 6,6,9-trimethyl-3-pentylbenzo(c)chromen-1-ol, UNII-7UYP6MC9GH, Cannabinol, 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran, 6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol, CBN, NSC 134455, Cannabinoids, Cannabinol (6CI), GTPL740, DivK1c_000972, SCHEMBL121085, Cannabinol, analytical standard, Cannabinol, 1mg/ml in Methanol, HMS503C05, KBio1_000972, NINDS_000972, Cannabinol 1.0 mg/ml in Methanol, Cannabinol - 20 mg/ml in methanol, Tox21_113486, BDBM50061117, LMPK13120002, AKOS024457448, DB14737, FC19669, FC55150, IDI1_000972, CAS-521-35-7, 6H-Dibenzo[b, 6,6,9-trimethyl-3-pentyl-, NS00001991, Cannabinol (CBN) 100 microg/mL in Methanol, C07580, Cannabinol (CBN) 1000 microg/mL in Methanol, Cannabinol (CBN) 250 microg/mL in Acetonitrile, EN300-7456337, A934070, L000158, Q265831, WLN: T B666 HO IHJ CQ E5 I1 I1 M1, 6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol, 3-Amyl-1-hydroxy-6,9-trimethyl-6H-dibenzo[b,d]pyran, 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol #, Z2680631269, 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol(Cannabinol), 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol (Cannabinol), 6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl- (7CI,8CI,9CI), 6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol, 3-Amyl-1-hydroxy-6,6 ,9-trimethyl-6H-dibenzo[b,d]pyran, 6,6,9-Trimethyl-3-pent, 6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol, 3-Amyl-1-hydroxy-6,6 ,9-trimethyl-6H-dibenzo[b,d]pyran, 6,6,9-Trimethyl-3-pentyl-6H -dibenzo[b ,d]pyran-1-ol, CBN |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1CCCCC12 |
| Np Classifier Class | Cannabinoids |
| Deep Smiles | CCCCCcccO)c-cccC)ccc6COc%10c%14)))C)C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | C1CCC2C(C1)COC1CCCCC12 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P20272, P34972, P21554, O08914, Q9NUW8, n.a., P04798, P05177, Q16678, Q6RI86, Q8R455, Q9WUD2, Q9ERZ8, E9PU00, Q8NER1, Q9Y4D2, P97612, Q02083, P37231, P10275 |
| Iupac Name | 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol |
| Prediction Hob | 1.0 |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT1287, NPT232, NPT1603, NPT208, NPT1604, NPT472 |
| Xlogp | 6.1 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H26O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)COc1ccccc1-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VBGLYOIFKLUMQG-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.4285714285714285 |
| Logs | -6.181 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.616 |
| Synonyms | 6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol, 3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran, CBN, cannabinol |
| Esol Class | Moderately soluble |
| Functional Groups | cO, cOC |
| Compound Name | Cannabinol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -5.736096356521739 |
| Inchi | InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3 |
| Smiles | CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dibenzopyrans |
| Np Classifier Superclass | Meroterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glochidion Eriocarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Trifolium Pratense (Plant) Rel Props:Reference:ISBN:9788172363093