Intricatin
PubChem CID: 6438495
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| Compound Synonyms | Intricatin, 124166-25-2, 7,4'-Dimethoxy-8-hydroxyhomoisoflavone, 7,4'-dimethoxy-8-hydroxy-homoisoflavone, (3E)-8-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-7-methoxy-3-((4-methoxyphenyl)methylene)-, (E)-, (3E)-8-hydroxy-7-methoxy-3-((4-methoxyphenyl)methylidene)chromen-4-one, CHEMBL265869 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C(CC2CCCCC2)CCC2CCCCC21 |
| Np Classifier Class | Aurones |
| Deep Smiles | COcccccc6))/C=CCOccC6=O))cccc6O))OC |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Homoisoflavonoids |
| Scaffold Graph Node Level | OC1C(CC2CCCCC2)COC2CCCCC21 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3E)-8-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H16O5 |
| Scaffold Graph Node Bond Level | O=C1C(=Cc2ccccc2)COc2ccccc21 |
| Inchi Key | LUVBNINCYAAMEQ-FMIVXFBMSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | intricatin |
| Esol Class | Soluble |
| Functional Groups | c/C=C(C)C(c)=O, cO, cOC |
| Compound Name | Intricatin |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H16O5/c1-21-13-5-3-11(4-6-13)9-12-10-23-18-14(16(12)19)7-8-15(22-2)17(18)20/h3-9,20H,10H2,1-2H3/b12-9+ |
| Smiles | COC1=CC=C(C=C1)/C=C/2\COC3=C(C2=O)C=CC(=C3O)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Hoffmannseggia Intricata (Plant) Rel Props:Reference:ISBN:9770972795006