Biflavone
PubChem CID: 9980790
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| Compound Synonyms | biflavone, 3,3'-Biflavone, SCHEMBL693914, CHEMBL1779468 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC(C2CCCCC2)C1C1C(C)C2CCCCC2CC1C1CCCCC1 |
| Np Classifier Class | Flavones |
| Deep Smiles | O=cccocc6cccc6)))))))cccccc6)))))))ccoccc6=O))cccc6)))))))cccccc6 |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1C2CCCCC2OC(C2CCCCC2)C1C1C(O)C2CCCCC2OC1C1CCCCC1 |
| Classyfire Subclass | Biflavonoids and polyflavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 798.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-oxo-2-phenylchromen-3-yl)-2-phenylchromen-4-one |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 6.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Biflavonoids and polyflavonoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H18O4 |
| Scaffold Graph Node Bond Level | O=c1c(-c2c(-c3ccccc3)oc3ccccc3c2=O)c(-c2ccccc2)oc2ccccc12 |
| Inchi Key | UFJORDZSBNSRQT-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | biflavone |
| Esol Class | Poorly soluble |
| Functional Groups | c=O, coc |
| Compound Name | Biflavone |
| Kingdom | Organic compounds |
| Exact Mass | 442.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 442.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 442.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C30H18O4/c31-27-21-15-7-9-17-23(21)33-29(19-11-3-1-4-12-19)25(27)26-28(32)22-16-8-10-18-24(22)34-30(26)20-13-5-2-6-14-20/h1-18H |
| Smiles | C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)C4=C(OC5=CC=CC=C5C4=O)C6=CC=CC=C6 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Biflavonoids and polyflavonoids |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
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