Baptigenin
PubChem CID: 9965663
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| Compound Synonyms | Baptigenin, Baptigenin [MI], Tetrahydroxyisoflavone, UNII-NR2UM1NX6N, NR2UM1NX6N, 5908-63-4, 7-Hydroxy-3-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(3,4,5-trihydroxyphenyl)-, 7-hydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one, SCHEMBL555129, CHEBI:229872, DTXSID901318382, 7,3',4',5'-Tetrahydroxyisoflavon, LMPK12050062, AKOS005166874, Q27285005 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2CCC1C1CCCCC1 |
| Np Classifier Class | Isoflavones |
| Deep Smiles | Occcccc6)occc6=O))cccO)ccc6)O))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1C(C2CCCCC2)COC2CCCCC21 |
| Classyfire Subclass | Isoflav-2-enes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 435.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O6 |
| Scaffold Graph Node Bond Level | O=c1c(-c2ccccc2)coc2ccccc12 |
| Inchi Key | YFVNYAXYZNDLIY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | baptigenin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Baptigenin |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| 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 |
| Inchi | InChI=1S/C15H10O6/c16-8-1-2-9-13(5-8)21-6-10(14(9)19)7-3-11(17)15(20)12(18)4-7/h1-6,16-18,20H |
| Smiles | C1=CC2=C(C=C1O)OC=C(C2=O)C3=CC(=C(C(=C3)O)O)O |
| 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 Andira Inermis (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Lanceolaria (Plant) Rel Props:Reference:ISBN:9780387706375