Kanzonol V
PubChem CID: 102444980
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| Compound Synonyms | Kanzonol V, CHEBI:175838, DTXSID101124008, 5,4'-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':2',3']-2-arylbenzofuran, 8-[6-hydroxy-5-(3-methylbut-2-enyl)-1-benzouran-2-yl]-2,2-dimethylchromen-5-ol, 184584-65-4, 8-[6-Hydroxy-5-(3-methyl-2-buten-1-yl)-2-benzofuranyl]-2,2-dimethyl-2H-1-benzopyran-5-ol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC(C3CCCC4CCCCC43)CC2C1 |
| Np Classifier Class | 2-arylbenzofurans |
| Deep Smiles | CC=CCcccccoc5cc9O)))))cccccc6OCC)C)C=C6))))))O))))))))))))C |
| Heavy Atom Count | 28.0 |
| Classyfire Class | 2-arylbenzofuran flavonoids |
| Scaffold Graph Node Level | C1CCC2OC(C3CCCC4CCCOC43)CC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 620.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[6-hydroxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]-2,2-dimethylchromen-5-ol |
| Class | 2-arylbenzofuran flavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 6.1 |
| Superclass | Phenylpropanoids and polyketides |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H24O4 |
| Scaffold Graph Node Bond Level | C1=Cc2cccc(-c3cc4ccccc4o3)c2OC1 |
| Inchi Key | AKOSXIFOBUWPLU-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 5,4'-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':2',3']-2-arylbenzofuran, kanzonol v |
| Esol Class | Poorly soluble |
| Functional Groups | CC=C(C)C, cC=CC, cO, cOC, coc |
| Compound Name | Kanzonol V |
| Kingdom | Organic compounds |
| Exact Mass | 376.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 376.4 |
| Gi Absorption | True |
| 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/C24H24O4/c1-14(2)5-6-15-11-16-12-22(27-21(16)13-20(15)26)18-7-8-19(25)17-9-10-24(3,4)28-23(17)18/h5,7-13,25-26H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1)C=C(O2)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)O)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | 2-arylbenzofuran flavonoids |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776