Cannabichromenic acid, (+)-
PubChem CID: 3084339
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| Compound Synonyms | Cannabichromenic acid, 20408-52-0, (+)-Cannabichromenic acid, 185505-15-1, 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid, CBCA, GHH6KX8TQS, UNII-NNW8UMP980, (+-)-Cannabichromenic acid, NNW8UMP980, Cannabichromenic acid, (+)-, CHEBI:167557, (+/-)-CANNABICHROMENIC ACID, 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, (+)-, 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-, 5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylic acid, UNII-GHH6KX8TQS, SCHEMBL9909325, CHEMBL4594109, DTXSID301336859, (+)-5-HYDROXY-2-METHYL-2-(4-METHYL-3-PENTEN-1-YL)-7-PENTYL-2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 5-HYDROXY-2-METHYL-2-(4-METHYL-3-PENTEN-1-YL)-7-PENTYL-, (+)-, FS-7318, (+/-)-CANNABICHROMENIC ACID A, 2H-1-Benzopyran-6-carboxylic acid, 5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, CANNABICHROMENIC ACID, (+/-)-, BC175206, NS00094551, Q27284972, 5-Hydroxy-2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2H-1-benzopyran-6-carboxylic acid, 5-Hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-1-benzopyran-6-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C22H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HRHJHXJQMNWQTF-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.911 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.758 |
| Compound Name | Cannabichromenic acid, (+)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 358.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.077532830769231 |
| Inchi | InChI=1S/C22H30O4/c1-5-6-7-10-16-14-18-17(20(23)19(16)21(24)25)11-13-22(4,26-18)12-8-9-15(2)3/h9,11,13-14,23H,5-8,10,12H2,1-4H3,(H,24,25) |
| Smiles | CCCCCC1=CC2=C(C=CC(O2)(C)CCC=C(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