3-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one
PubChem CID: 5748605
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| Compound Synonyms | 3-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one, 24160-14-3, cladrin, 3',4'-DIMETHOXY-7-HYDROXYISOFLAVONE, 3-(3,4-dimethoxyphenyl)-7-hydroxychromen-4-one, 4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-7-hydroxy-, 7-Hydroxy-3',4'-dimethoxyisoflavone, MLS000043602, SMR000020618, MFCD00076013, SCHEMBL738092, CHEMBL454746, BDBM38392, cid_5748605, DTXSID50178869, HMS2294L04, ALBB-017546, 7-hydroxy-4'5'-dimethoxyisoflavone, BBL034716, LMPK12050059, STK922906, AKOS000270876, 7-hydroxy-3',4'-dimethoxy-isoflavone, CCG-118625, FD65412, VS-12645, DS-016528, 3-(3,4-dimethoxyphenyl)-7-hydroxy-chromone, CS-0320622, VU0227247-5, H32251, AB00413505-10, 3',4'-dimethoxy-7-hydroxyisoflavone, AldrichCPR, 3-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-4-one, SR-01000115144, 3-(3,4-Dimethoxy-phenyl)-7-hydroxy-chromen-4-one, 3-(3,4-dimethoxyphenyl)-7-oxidanyl-chromen-4-one, SR-01000115144-1, 7-hydroxy-3-(3,4-dimethoxyphenyl)-4h-chromen-4-one, 3-(3,4-dimethoxyphenyl)-7-hydroxy-1-benzopyran-4-one, F3139-1612, 4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-7-hydroxy-, Isoflavone, 7-hydroxy-3',4'-dimethoxy- (6CI,7CI,8CI), 3-(3,4-Dimethoxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one, 7-Hydroxy-3',4'-dimethoxyisoflavone, Cladrin |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P37231, Q99714, B2RXH2, P51151, P10636, P28482, O15118, P04637, Q96QE3, P08659, O94925, P43220, P38398, P63092 |
| Iupac Name | 3-(3,4-dimethoxyphenyl)-7-hydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT149, NPT48, NPT537, NPT51, NPT282, NPT538, NPT539 |
| Xlogp | 2.8 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VFZIJLPRJAQGFO-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.693 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.749 |
| Compound Name | 3-(3,4-dimethoxyphenyl)-7-hydroxy-4H-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2770046181818184 |
| Inchi | InChI=1S/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3 |
| Smiles | COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spatholobus Parviflorus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all