Cannabichromevarinic acid
PubChem CID: 11110322
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| Compound Synonyms | Cannabichromevarinic acid, 64898-02-8, CBCVA, DMV4K7ENG6, UNII-DMV4K7ENG6, 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-7-propyl-, (-)-, 1628112-69-5, 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-propyl-, (-)-, (-)-5-Hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-7-propyl-2H-1-benzopyran-6-carboxylic acid, (+/-)-Cannabichromevarinic Acid, 5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-propyl-2H-1-benzopyran-6-carboxylic acid, CBCVA, (+/-)-Cannabichromevarinic Acid, CHEMBL4875095, SCHEMBL13214114, SCHEMBL26487390, (+/-)-Cannabichromevarinic Acid, DTXSID10455582, Cannabichromevarinic acid (CBCVA) 100 microg/mL in Acetonitrile, Cannabichromevarinic acid (CBCVA) 1000 microg/mL in Acetonitrile, DQC11269, (+/-)-Cannabichromevarinic Acid (CRM), BC177462, 5-Hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-propyl-2H-1-benzopyran-6-carboxylic acid |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Cannabinoids |
| Deep Smiles | CCCcccOCC)CCC=CC)C)))))C=Cc6cc%10C=O)O)))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC2OCCCC2C1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 506.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propylchromene-6-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 5.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H26O4 |
| Scaffold Graph Node Bond Level | C1=Cc2ccccc2OC1 |
| Inchi Key | OIVPAQDCMDYIIL-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | cannabichromevarinic acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, cC(=O)O, cC=CC, cO, cOC |
| Compound Name | Cannabichromevarinic acid |
| Exact Mass | 330.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 330.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H26O4/c1-5-7-14-12-16-15(18(21)17(14)19(22)23)9-11-20(4,24-16)10-6-8-13(2)3/h8-9,11-12,21H,5-7,10H2,1-4H3,(H,22,23) |
| Smiles | CCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1C(=O)O)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:9788185042084