Maxima isoflavone G
PubChem CID: 5385091
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Maxima isoflavone G, Cuneatin, 7741-28-8, Maximaisoflavone G, NSC382029, 5H0001JL2T, NSC 382029, UNII-5H0001JL2T, 7-Hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4H-chromen-4-one, NSC-382029, 7-Hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one, 7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one, CHEMBL519221, DTXSID00228121, LMPK12050087, NCI60_003639, DS-009226, 7-Hydroxy-3-(6-methoxybenzo[1,3]dioxol-5-yl)chromen-4-one, ISOFLAVONE, 7-HYDROXY-2'-METHOXY-4',5'-(METHYLENEDIOXY)-, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2CCC1C1CCC2CCCC2C1 |
| Np Classifier Class | Isoflavones |
| Deep Smiles | COcccOCOc5cc9ccoccc6=O))cccc6)O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1C(C2CCC3OCOC3C2)COC2CCCCC21 |
| Classyfire Subclass | Isoflav-2-enes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H12O6 |
| Scaffold Graph Node Bond Level | O=c1c(-c2ccc3c(c2)OCO3)coc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BHIIMRBCELSOFD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.213 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.902 |
| Synonyms | maxima isoflavone g |
| Esol Class | Soluble |
| Functional Groups | c1cOCO1, c=O, cO, cOC, coc |
| Compound Name | Maxima isoflavone G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 312.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.3055000086956516 |
| Inchi | InChI=1S/C17H12O6/c1-20-13-6-16-15(22-8-23-16)5-11(13)12-7-21-14-4-9(18)2-3-10(14)17(12)19/h2-7,18H,8H2,1H3 |
| Smiles | COC1=CC2=C(C=C1C3=COC4=C(C3=O)C=CC(=C4)O)OCO2 |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Buxus Papillosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tephrosia Maxima (Plant) Rel Props:Reference:ISBN:9788185042138