6-Methylgenistein
PubChem CID: 45273092
Connections displayed (default: 10).
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| Compound Synonyms | 6-methylgenistein, 97575-49-0, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methylchromen-4-one, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-6-methyl-4H-chromen-4-one, starbld0014551, CHEMBL564769, SCHEMBL18326518, XDA57549, AKOS040761211, CS-0158822 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methylchromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Is Pains | False |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DPFIBLHIYGLZEN-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 6-Methylgenistein |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.511464923809524 |
| Inchi | InChI=1S/C16H12O5/c1-8-12(18)6-13-14(15(8)19)16(20)11(7-21-13)9-2-4-10(17)5-3-9/h2-7,17-19H,1H3 |
| Smiles | CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Cyrtobotrya (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Teucrium Betonicum (Plant) Rel Props:Source_db:cmaup_ingredients