Pongaglabol
PubChem CID: 12778491
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| Compound Synonyms | Pongaglabol, 5-hydroxy-2-phenylfuro(2,3-h)chromen-4-one, 5-hydroxy-2-phenylfuro[2,3-h]chromen-4-one, 5-HYDROXY-2-PHENYL-4H-FURO[2,3-H]CHROMEN-4-ONE, LMPK12110162, 75666-79-4, 5-hydroxy-2-phenyl-furo[2,3-h]chromen-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 59.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2C1CCC1CCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | O=cccocc6cO)ccc6cco5))))))))))cccccc6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2C1CCC1OCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-phenylfuro[2,3-h]chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H10O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2c1ccc1occc12 |
| Inchi Key | USQMGTCZKGEZKA-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | pongaglabol, pongaglabol [5-hydroxyfurano(8,7-4",5")flavone] |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Pongaglabol |
| Exact Mass | 278.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 278.26 |
| 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/C17H10O4/c18-12-8-14(10-4-2-1-3-5-10)21-17-11-6-7-20-15(11)9-13(19)16(12)17/h1-9,19H |
| Smiles | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3O)OC=C4 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Reference:ISBN:9788172363178