Cannabiglendol
PubChem CID: 156998
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| Compound Synonyms | Cannabiglendol, WK4AJY8EGD, OH-ISO-HHCV, 77091-08-8, 12-(2-HYDROXYPROPAN-2-YL)-9-METHYL-5-PROPYL-8-OXATRICYCLO(7.3.1.02,7)TRIDECA-2,4,6-TRIEN-3-OL, 3,4,5,6-TETRAHYDRO-7-HYDROXY-ALPHA-ALPHA-2-TRIMETHYL 9-N-PROPYL-2,6-METHANO-2H-1-BENZOXOCIN-5-METHANOL, (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid-d5, L-Cbz-Azetidine-2-carboxylic acid-d5, (S)-N-(Benzyloxycarbonyl)azetidine-2-carboxylic acid-d5, UNII-WK4AJY8EGD, SCHEMBL18037679, DTXSID20998354, 2,6-Methano-2H-1-benzoxocin-5-methanol, 3,4,5,6-tetrahydro-7-hydroxy-alpha,alpha,2-trimethyl-9-propyl-, 2,6-METHANO-2H-1-BENZOXOCIN-5-METHANOL, 3,4,5,6-TETRAHYDRO-7-HYDROXY-.ALPHA.,.ALPHA.,2-TRIMETHYL-9-PROPYL-, 5-(2-Hydroxypropan-2-yl)-2-methyl-9-propyl-3,4,5,6-tetrahydro-2H-2,6-methano-1-benzoxocin-7-ol |
|---|---|
| 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 | C1CCC2C(C1)CC1CCCC2C1 |
| Np Classifier Class | Cannabinoids |
| Deep Smiles | CCCcccO)ccc6)OCCC6CCC6))CO)C)C)))))C |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | C1CC2CC(C1)C1CCCCC1O2 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 12-(2-hydroxypropan-2-yl)-9-methyl-5-propyl-8-oxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H28O3 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)OC1CCCC2C1 |
| Inchi Key | RRQVSLLVCGRJNI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | cannabiglendol |
| Esol Class | Moderately soluble |
| Functional Groups | CO, cO, cOC |
| Compound Name | Cannabiglendol |
| Exact Mass | 304.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 304.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H28O3/c1-5-6-12-9-15(20)17-13-11-19(4,22-16(17)10-12)8-7-14(13)18(2,3)21/h9-10,13-14,20-21H,5-8,11H2,1-4H3 |
| Smiles | CCCC1=CC(=C2C3CC(CCC3C(C)(C)O)(OC2=C1)C)O |
| Np Classifier Biosynthetic Pathway | 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:ISBN:9788172360481; ISBN:9788172363130; ISBN:9788185042114