Cannabinodiol
PubChem CID: 11551346
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| Compound Synonyms | Cannabinodiol, 39624-81-2, CBND, CNY5ZTN8E3, UNII-CNY5ZTN8E3, 2-(5-Methyl-2-prop-1-en-2-ylphenyl)-5-pentylbenzene-1,3-diol, 5'-Methyl-2'-(1-methylethenyl)-4-pentyl-1,1'-biphenyl-2,6-diol, (1,1'-Biphenyl)-2,6-diol, 5'-methyl-2'-(1-methylethenyl)-4-pentyl-, 5'-Methyl-4-pentyl-2'-(prop-1-en-2-yl)-(1,1'-biphenyl)-2,6-diol, Cannabinodiol (CBND) 100 microg/mL in Acetonitrile, Cannabinodiol (CBND) 1000 microg/mL in Acetonitrile, Cannabinodiol-d9, [1,1'-Biphenyl]-2,6-diol, 5'-methyl-2'-(1-methylethenyl)-4-pentyl-, 5'-Methyl-2'-(1-methylethenyl)-4-pentyl[1,1'-biphenyl]-2,6-diol, Cannabinodiol, CBND, 2-(2-Isopropenyl-5-methyl-phenyl)-5-pentyl-benzene-1,3-diol, Cannabinodiol (CBND), SCHEMBL13214121, DTXSID401045922, PBA62481, AKOS040758108, NS00018623 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Deep Smiles | CCCCCcccO)ccc6)O))cccC)ccc6C=C)C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCCCC2)CC1 |
| Classyfire Subclass | Biphenyls and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-pentylbenzene-1,3-diol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 7.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H26O2 |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccccc2)cc1 |
| Inchi Key | TWKHUZXSTKISQC-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | cannabinodiol |
| Esol Class | Poorly soluble |
| Functional Groups | cC(=C)C, cO |
| Compound Name | Cannabinodiol |
| 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 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C21H26O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h9-13,22-23H,2,5-8H2,1,3-4H3 |
| Smiles | CCCCCC1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)C)C(=C)C)O |
| Np Classifier Biosynthetic Pathway | Polyketides, 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