3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid
PubChem CID: 5281715
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| Compound Synonyms | 3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid, 87402-83-3, 6-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-2-[(E)-2-phenylethenyl]benzoic acid, SCHEMBL4744171, CHEBI:28152, DTXSID201131046, LMPK13090009, 6-Hydroxy-4-methoxy-3-prenyl-2-styrylbenzoic acid, Q27103532, 6-Hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)-2-[(1E)-2-phenylethenyl]benzoic acid, 6-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-2-[(E)-2-phenylethenyl]benzoic acid, 6-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-2-[(E)-2-phenylvinyl]benzoic acid |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | DFMCTODOEICLEB-ZRDIBKRKSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | 3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylate, 3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid, 6-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-2-(2-phenylethenyl)benzoic acid, 6-Hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-2-[(e)-2-phenylvinyl]benzoate, 6-Hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-2-[(e)-2-phenylvinyl]benzoic acid, 6-Hydroxy-4-methoxy-3-prenyl-2-styrylbenzoic acid |
| Heavy Atom Count | 25.0 |
| Compound Name | 3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid |
| Description | Constituent of Cajanus cajan (pigeon pea). 6-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-2-(2-phenylethenyl)benzoic acid is found in pigeon pea and pulses. |
| Exact Mass | 338.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.152 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-2-[(E)-2-phenylethenyl]benzoic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C21H22O4/c1-14(2)9-11-16-17(12-10-15-7-5-4-6-8-15)20(21(23)24)18(22)13-19(16)25-3/h4-10,12-13,22H,11H2,1-3H3,(H,23,24)/b12-10+ |
| Smiles | CC(=CCC1=C(C=C(C(=C1/C=C/C2=CC=CC=C2)C(=O)O)O)OC)C |
| Xlogp | 5.8 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C21H22O4 |
- 1. Outgoing r'ship
FOUND_INto/from Cajanus Cajan (Plant) Rel Props:Source_db:fooddb_chem_all