Eryvarinol A
PubChem CID: 637476
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| Compound Synonyms | Eryvarinol A, [(1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-yl] 4-hydroxy-3,5-dimethoxybenzoate, (1R,2S)-2-hydroxy-1-(4-hydroxybenzyl)-2-(4-hydroxy-2-methoxyphenyl)ethyl rel-4-hydroxy-3,5-dimethoxybenzoate, (1S,2R)-1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propanyl 4-hydroxy-3,5-dimethoxybenzoate, 4-Hydroxy-3,5-dimethoxy-benzoic acid 2-hydroxy-1-(4-hydroxy-benzyl)-2-(4-hydroxy-2-methoxy-phenyl)-ethyl ester, benzoic acid, 4-hydroxy-3,5-dimethoxy-, (1R,2S)-2-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-1-[(4-hydroxyphenyl)methyl]ethyl ester, ((1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-yl) 4-hydroxy-3,5-dimethoxybenzoate, 1-(4-Hydroxy-2-methoxyphenyl)-2-(4-hydroxy-3,5-dimethoxybenzoyloxy)-3-(4-hydroxyphenyl)propan-1-ol, benzoic acid, 4-hydroxy-3,5-dimethoxy-, (1R,2S)-2-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-1-((4-hydroxyphenyl)methyl)ethyl ester, 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate, 1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoic acid |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 610.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-yl] 4-hydroxy-3,5-dimethoxybenzoate |
| Prediction Hob | 0.0 |
| Xlogp | 3.5 |
| Molecular Formula | C25H26O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISBPEYMYDJMZGH-PKTZIBPZSA-N |
| Fcsp3 | 0.24 |
| Logs | -4.031 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.687 |
| Compound Name | Eryvarinol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 470.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 470.158 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 470.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6874035058823535 |
| Inchi | InChI=1S/C25H26O9/c1-31-19-13-17(27)8-9-18(19)23(28)22(10-14-4-6-16(26)7-5-14)34-25(30)15-11-20(32-2)24(29)21(12-15)33-3/h4-9,11-13,22-23,26-29H,10H2,1-3H3/t22-,23+/m1/s1 |
| Smiles | COC1=CC(=CC(=C1O)OC)C(=O)O[C@H](CC2=CC=C(C=C2)O)[C@H](C3=C(C=C(C=C3)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Variegata (Plant) Rel Props:Source_db:cmaup_ingredients