Karanjachromene
PubChem CID: 14033983
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| Compound Synonyms | Karanjachromene, Pongaflavone, 4J8H5LNY6T, 38070-93-8, UNII-4J8H5LNY6T, 3-Methoxy-8,8-dimethyl-2-phenylpyrano(2,3-f)chromen-4(8H)-one, 3-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one, 3-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one, 2-Phenyl-3-methoxy-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one, 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-methoxy-8,8-dimethyl-2-phenyl-, 2-PHENYL-3-METHOXY-8,8-DIMETHYL-4H,8H-BENZO[1,2-B:3,4-B']DIPYRAN-4-ONE, 4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-methoxy-8,8-dimethyl-2-phenyl-, CHEMBL2204384, QCLBGWSAIHOGCA-UHFFFAOYSA-, DTXSID701029319, LMPK12111544, DB-261393, Q6368483, 3-Methoxy-8,8-dimethyl-2-phenyl-4H,8H-pyrano[2,3-f]chromen-4-one, InChI=1/C21H18O4/c1-21(2)12-11-14-16(25-21)10-9-15-17(22)20(23-3)18(24-19(14)15)13-7-5-4-6-8-13/h4-12H,1-3H3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2C1CCC1CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | COccoccc6=O))cccc6C=CCO6)C)C)))))))))))cccccc6 |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2C1CCC1OCCCC12 |
| Classyfire Subclass | Pyranoflavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 597.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 4.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H18O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2c3c(ccc12)OCC=C3 |
| Inchi Key | QCLBGWSAIHOGCA-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | karanjachromene, pongaflavone, pongaflavone [2, 2-dimethylpyrano(5',6',8,7)methoxyflavone] |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cC=CC, cOC, coc |
| Compound Name | Karanjachromene |
| Exact Mass | 334.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 334.4 |
| 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/C21H18O4/c1-21(2)12-11-14-16(25-21)10-9-15-17(22)20(23-3)18(24-19(14)15)13-7-5-4-6-8-13/h4-12H,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2OC(=C(C3=O)OC)C4=CC=CC=C4)C |
| 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 Diospyros Malabarica (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Reference:ISBN:9788185042114