7,4'-Dimethoxy-5-hydroxyisoflavone
PubChem CID: 5386259
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| Compound Synonyms | 34086-51-6, 7-O-Methylbiochanin A, 7,4'-Dimethoxy-5-hydroxyisoflavone, 5-Hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one, 5-Hydroxy-4',7-dimethoxyisoflavone, GENISTEIN-4',7-DIMETHYL ETHER, 4',7-dimethoxy-5-hydroxyisoflavone, 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one, NSC 604926, 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-, NSC604926, Biochanin A 7-methyl ether, O617EDC7HT, MLS000570796, NSC-604926, SMR000150588, dimethylgenistein, Genistein-7,4'-dimethyl ether, Spectrum_001916, SpecPlus_000385, Spectrum5_001866, UNII-O617EDC7HT, Oprea1_378910, KBioSS_002458, DivK1c_006481, SCHEMBL572108, CHEMBL464433, 7-methoxy-3-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one, BDBM49475, cid_5386259, KBio1_001425, KBio2_002451, KBio2_005019, KBio2_007587, DTXSID60187684, DQNLRFRBAWCJHQ-UHFFFAOYSA-N, 5-hydroxy4',7-dimethoxyisoflavone, 4',7-DI-O-METHYLGENISTEIN, BCP10000, HY-N7655, 5-hydroxy-7,4'-dimethoxyisoflavone, BIOCHANIN A, 7-METHYL ETHER, BIOCHANIN A, MONOMETHYL ETHER, MFCD00075976, AKOS003624283, CCG-231517, FB66696, NCGC00246143-01, BS-49344, NCI60_004625, DB-048564, CS-0135002, HYDROXY-4',7-DIMETHOXYISOFLAVONE, 5-, E78703, ISOFLAVONE, 5-HYDROXY-4',7-DIMETHOXY-, 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromone, AB00052939-11, Z56823094, 4'7-Dimethoxy-5-hydroxyisoflavone, Biochanin A methyl ether, 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one, 5-HYDROXY-7-METHOXY-3-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q04206, P51151, Q16637, Q03164, O15118, Q16236, Q96QE3, P11712, P33261, P05177, P10635, Q9UNA4, P49798, P08659, P38398, Q60795 |
| Iupac Name | 5-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT537, NPT93, NPT538, NPT212, NPT213, NPT208, NPT110 |
| Xlogp | 3.3 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DQNLRFRBAWCJHQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.816 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.869 |
| Compound Name | 7,4'-Dimethoxy-5-hydroxyisoflavone |
| 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 | -3.623504618181818 |
| Inchi | InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arum Maximum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asclepias Vestita (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Chamomilla Recutita (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Heliotropium Hirsutissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Inulanthera Calva (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Klasea Sogdiana (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Myristica Malabarica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Nicotiana Raimondii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Scolopia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Trollius Europaeus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all