8-Hydroxycannabinolic Acid A
PubChem CID: 44139742
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| Compound Synonyms | 8-hydroxycannabinolic acid A, 1,8-Dihydroxy-6,6,9-trimethyl-3-pentyl-6H-benzo(c)chromene-2-carboxylate, 1,8-Dihydroxy-6,6,9-trimethyl-3-pentyl-6H-benzo[c]chromene-2-carboxylate, 1,8-dihydroxy-6,6,9-trimethyl-3-pentylbenzo(c)chromene-2-carboxylic acid, 1,8-dihydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid, 8-Hydroxycannabinolate a, CHEMBL560418 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-dihydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C22H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DMVDJDMFQCOKJW-UHFFFAOYSA-N |
| Fcsp3 | 0.4090909090909091 |
| Logs | -3.156 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.508 |
| Compound Name | 8-Hydroxycannabinolic Acid A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 370.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.814847888888889 |
| Inchi | InChI=1S/C22H26O5/c1-5-6-7-8-13-10-17-19(20(24)18(13)21(25)26)14-9-12(2)16(23)11-15(14)22(3,4)27-17/h9-11,23-24H,5-8H2,1-4H3,(H,25,26) |
| Smiles | CCCCCC1=CC2=C(C3=C(C=C(C(=C3)C)O)C(O2)(C)C)C(=C1C(=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all