Eryvarinol B
PubChem CID: 11114230
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| Compound Synonyms | Eryvarinol B, [(1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-2-yl] 4-hydroxy-3,5-dimethoxybenzoate, ((1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)propan-2-yl) 4-hydroxy-3,5-dimethoxybenzoate, 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate, 1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)propan-2-yl 4-hydroxy-3,5-dimethoxybenzoic acid, 1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl 4-hydroxy-3,5-dimethoxybenzoate, 1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl 4-hydroxy-3,5-dimethoxybenzoic acid, 3''-Prenyl-1-(4-hydroxy-2-methoxyphenyl)-2-(4-hydroxy-3,5-dimethoxybenzoyloxy)-3-(4-hydroxyphenyl)propan-1-ol |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 770.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1S,2R)-1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-2-yl] 4-hydroxy-3,5-dimethoxybenzoate |
| Prediction Hob | 0.0 |
| Xlogp | 5.4 |
| Molecular Formula | C30H34O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GEPYENNZEVKGNW-IZLXSDGUSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.375 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.368 |
| Compound Name | Eryvarinol B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 538.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 538.22 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 538.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.143415061538463 |
| Inchi | InChI=1S/C30H34O9/c1-17(2)6-8-19-12-18(7-11-23(19)32)13-27(28(33)22-10-9-21(31)16-24(22)36-3)39-30(35)20-14-25(37-4)29(34)26(15-20)38-5/h6-7,9-12,14-16,27-28,31-34H,8,13H2,1-5H3/t27-,28+/m1/s1 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C[C@H]([C@H](C2=C(C=C(C=C2)O)OC)O)OC(=O)C3=CC(=C(C(=C3)OC)O)OC)O)C |
| 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