Cannabispirol
PubChem CID: 194174
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| Compound Synonyms | Cannabispirol, alpha-Cannabispiranol, 64052-90-0, 69636-83-5, beta-Cannabispiranol, 6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexane]-1',4-diol, trans-2',3'-Dihydro-5'-methoxyspiro[cyclohexane-1,1'-[1H]indene]-4,7'-diol, cis-2',3'-Dihydro-5'-methoxyspiro[cyclohexane-1,1'-[1H]indene]-4,7'-diol, Cannabispirol, ?-Cannabispiranol, Spiro(cyclohexane-1,1'-(1H)indene)-4,7'-diol, 2',3'-dihydro-5'-methoxy-, cis-, CHEMBL4090994, SCHEMBL12954544, DTXSID90982447, 7'-Hydroxy-5'-methoxyspiro(cyclohexane-1,1'-indan)-4beta-ol, HY-N3534, UCA63683, AKOS032948862, AKOS040761453, FS-9275, FS-9282, DA-51570, CS-0023785, 5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol, Rel-(1r,4s)-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-indene]-4,7'-diol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2(CC1)CCC1CCCCC12 |
| Deep Smiles | COcccO)ccc6)CCC5CCCCC6))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Indanes |
| Scaffold Graph Node Level | C1CCC2(CC1)CCC1CCCCC12 |
| Classyfire Subclass | Indan-1-spirocyclohexanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexane]-1',4-diol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H20O3 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCC21CCCCC1 |
| Inchi Key | ZFFYHYZOCYEEPL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | alpha-cannabispiranol, beta cannabispiranol, cannabispirol, β-cannabispiranol |
| Esol Class | Soluble |
| Functional Groups | CO, cO, cOC |
| Compound Name | Cannabispirol |
| Exact Mass | 248.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 248.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H20O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h8-9,11,16-17H,2-7H2,1H3 |
| Smiles | COC1=CC2=C(C(=C1)O)C3(CCC(CC3)O)CC2 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Reference:ISBN:9788172363130; ISBN:9788185042084