Isoflavone, 7-hydroxy-4',6-dimethoxy-, acetate
PubChem CID: 3083840
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| Compound Synonyms | Isoflavone, 7-hydroxy-4',6-dimethoxy-, acetate, 7-Hydroxy-4',6-dimethoxyisoflavone acetate, 4253-19-4, DTXSID60195320, 7-O-Ac-afromosin, 7-O-acetylafromosin, MLS002473152, CHEMBL446567, DTXCID70117811, HMS2267B11, NCGC00247475-01, SMR001397244 |
|---|---|
| Topological Polar Surface Area | 71.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P04637, Q96QE3, P83916, O75874, O75496, P80244, P17405, P38398, Q13148, Q8WZA2, Q03431 |
| Iupac Name | [6-methoxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OLSFYFUZJCERJF-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.534 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.609 |
| Compound Name | Isoflavone, 7-hydroxy-4',6-dimethoxy-, acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 340.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4103522 |
| Inchi | InChI=1S/C19H16O6/c1-11(20)25-18-9-16-14(8-17(18)23-3)19(21)15(10-24-16)12-4-6-13(22-2)7-5-12/h4-10H,1-3H3 |
| Smiles | CC(=O)OC1=C(C=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all