Erylatissin A
PubChem CID: 11739635
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| Compound Synonyms | Erylatissin A, CHEBI:65863, 7,3'-dihydroxy-4'-methoxy-5'-(gamma,gamma-dimethylallyl)isoflavone, 7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one, 7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one, 7-hydroxy-3-(3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl)-4H-chromen-4-one, 7-hydroxy-3-(3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl)chromen-4-one, SCHEMBL15764576, Q27134355, 7,3'-Dihydroxy-4'-methoxy-5'-(g,g-dimethylallyl)isoflavone, 7,3'-Dihydroxy-4'-methoxy-5'-(I3,I3-dimethylallyl)isoflavone, 847976-81-2 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C21H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CEXYMYPXHMUTTJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.261 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.191 |
| Compound Name | Erylatissin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.471577815384616 |
| Inchi | InChI=1S/C21H20O5/c1-12(2)4-5-13-8-14(9-18(23)21(13)25-3)17-11-26-19-10-15(22)6-7-16(19)20(17)24/h4,6-11,22-23H,5H2,1-3H3 |
| Smiles | CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Latissima (Plant) Rel Props:Source_db:cmaup_ingredients