Cannabicyclol
PubChem CID: 30607
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CANNABICYCLOL, Cannabipinol, Pentylcannabicyclol, 21366-63-2, MP5WZK8M5U, 9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol, (1aR-(1aalpha,3aalpha,8balpha,8calpha))-1a,2,3,3a,8b,8c-Hexahydro-1,1,3a-trimethyl-6-pentyl-1H-4-oxabenzo(f)cyclobut(cd)inden-8-ol, 1H-4-Oxabenzo(f)cyclobut(cd)inden-8-ol, 1a-alpha,2,3,3a,8b-alpha,8c-alpha-hexahydro-1,1,3a-trimethyl-6-pentyl-, 1H-4-Oxabenzo(f)cyclobut(cd)inden-8-ol, 1a-.alpha.,2,3,3a,8b-.alpha.,8c-.alpha.-hexahydro-1,1,3a-trimethyl-6-pentyl-, 1H-4-Oxabenzo[f]cyclobut[cd]inden-8-ol, 1a,2,3,3a,8b,8c-hexahydro-1,1,3a-trimethyl-6-pentyl-, [1aR-(1a.alpha.,3a.alpha.,8b.alpha.,8c.alpha.)]-, DTXSID70900962, 9,13,13-trimethyl-5-pentyl-8-oxatetracyclo(7.4.1.02,7.012,14)tetradeca-2,4,6-trien-3-ol, UNII-MP5WZK8M5U, SCHEMBL455022, CHEMBL154127, DTXCID301329395, (1AS,3AR,8BR,8CR)-1A,2,3,3A,8B,8C-HEXAHYDRO-1,1,3A-TRIMETHYL-6-PENTYL-1H-4-OXABENZO(F)CYCLOBUT(CD)INDEN-8-OL, 1H-4-OXABENZO(F)CYCLOBUT(CD)INDEN-8-OL, 1A,2,3,3A,8B,8C-HEXAHYDRO-1,1,3A-TRIMETHYL-6-PENTYL-, (1AS,3AR,8BR,8CR)-, 1H-4-OXABENZO(F)CYCLOBUT(CD)INDEN-8-OL, 1A,2,3,3A,8B,8C-HEXAHYDRO-1,1,3A-TRIMETHYL-6-PENTYL-, (1AS-(1A.ALPHA.,3A.ALPHA.,8B.ALPHA.,8C.ALPHA.))-, 1H-4-OXABENZO(F)CYCLOBUT(CD)INDEN-8-OL, 1A.ALPHA.,2,3,3A,8B.ALPHA.,8C.ALPHA.-HEXAHYDRO-1,1,3A-TRIMETHYL-6-PENTYL-, EX-A10972, BC175207, Q907909, (1aR-(1a alpha,3a alpha,8b alpha,8c alpha))-1a,2,3,3a,8b,8c-hexahydro-1,1,3a-trimethyl-6-pentyl-1H-4-oxabenzo(f)cyclobut(cd)inden-8-ol, 1,1,3a-Trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol #, 1H-4-Oxabenzo(f)cyclobut(cd)inden-8-ol, 1a,2,3,3a,8b,8c-hexahydro-1,1,3a-trimethyl-6-pentyl-, (1aR-(1aalpha,3aalpha,8balpha,8calpha))-, 1H-4-OXABENZO(F)CYCLOBUT(CD)INDEN-8-OL, 1A,2,3,3A,8B,8C-HEXAHYDRO-1,1,3A-TRIMETHYL-6-PENTYL-, (1AS-(1AALPHA,3AALPHA,8BALPHA,8CALPHA))-, 1H-4-OXABENZO(F)CYCLOBUT(CD)INDEN-8-OL, 1AALPHA,2,3,3A,8BALPHA,8CALPHA-HEXAHYDRO-1,1,3A-TRIMETHYL-6-PENTYL- |
|---|---|
| Ghose Rule | True |
| 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)CC1CCC3CC2C13 |
| Np Classifier Class | Cannabinoids |
| Deep Smiles | CCCCCcccO)ccc6)OCCC6CC4CC7)))C)C))))C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | C1CCC2C(C1)OC1CCC3CC2C31 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 6.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H30O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)OC1CCC3CC2C31 |
| Inchi Key | IGHTZQUIFGUJTG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | cannabicyclol |
| Esol Class | Moderately soluble |
| Functional Groups | cO, cOC |
| Compound Name | Cannabicyclol |
| Exact Mass | 314.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 314.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C21H30O2/c1-5-6-7-8-13-11-15(22)17-16(12-13)23-21(4)10-9-14-18(21)19(17)20(14,2)3/h11-12,14,18-19,22H,5-10H2,1-4H3 |
| Smiles | CCCCCC1=CC(=C2C3C4C(C3(C)C)CCC4(OC2=C1)C)O |
| Np Classifier Biosynthetic Pathway | Polyketides, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Meroterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15688956