Kuwanon F
PubChem CID: 156149
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| Compound Synonyms | Kuwanon F, 71344-07-5, CHEMBL4160223, DTXSID50991671, CHEBI:175377, BDBM50291294, LMPK12140513, (2,6'-Bi-2H-1-benzopyran)-4(3H)-one, 5,7,7'-trihydroxy-2'-methyl-2'-(4-methyl-3-pentenyl)-, 5,7-dihydroxy-2-[7-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-2,3-dihydrochromen-4-one, 5,7,7'-Trihydroxy-2'-methyl-2'-(4-methyl-3-pentenyl)-(2,6'-bi-2H-1-benzopyran)-4(3H)-one, 9CI, 5,7,7'-Trihydroxy-2'-methyl-2'-(4-methylpent-3-en-1-yl)-2,3-dihydro-2'H,4H-[2,6'-bi-1-benzopyran]-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCC3CCCCC3C2)CC2CCCCC12 |
| Np Classifier Class | Flavanones |
| Deep Smiles | CC=CCCCC)C=CccO6)cccc6)CCC=O)ccO6)cccc6O)))O)))))))))O)))))))))))C |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCC3OCCCC3C2)OC2CCCCC12 |
| Classyfire Subclass | Pyranoflavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 728.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309 |
| Iupac Name | 5,7-dihydroxy-2-[7-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-2,3-dihydrochromen-4-one |
| Class | Flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 5.3 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Pyranoflavonoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H26O6 |
| Scaffold Graph Node Bond Level | O=C1CC(c2ccc3c(c2)C=CCO3)Oc2ccccc21 |
| Inchi Key | FZAZNGMSARSUNC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 4-Methyl-2-(1-methyl-1-butenyl)-1,3-dioxolane, 5,7,7'-Trihydroxy-2'-methyl-2'-(4-methyl-3-pentenyl)-(2,6'-bi-2H-1-benzopyran)-4(3H)-one, 9ci, kuwanon f |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, cC(C)=O, cC=CC, cO, cOC |
| Compound Name | Kuwanon F |
| Kingdom | Organic compounds |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C25H26O6/c1-14(2)5-4-7-25(3)8-6-15-9-17(18(27)12-21(15)31-25)22-13-20(29)24-19(28)10-16(26)11-23(24)30-22/h5-6,8-12,22,26-28H,4,7,13H2,1-3H3 |
| Smiles | CC(=CCCC1(C=CC2=CC(=C(C=C2O1)O)C3CC(=O)C4=C(C=C(C=C4O3)O)O)C)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Pyranoflavonoids |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729