Prosogerin A
PubChem CID: 44257586
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| Compound Synonyms | Prosogerin A, LMPK12110068, 2-(1,3-benzodioxol-5-yl)-7-hydroxy-6-methoxychromen-4-one, 70927-54-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCC3CCCC3C2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccc=O)ccoc6cc%10O)))))cccccc6)OCO5 |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCC3OCOC3C2)OC2CCCCC12 |
| Classyfire Subclass | O-methylated flavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,3-benzodioxol-5-yl)-7-hydroxy-6-methoxychromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H12O6 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12 |
| Inchi Key | MAKXJHCYKKCQQY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | prosogerin a, prosogerin a(6-methoxy-7-hydroxy-3',4'-methylenedioxyflavone) |
| Esol Class | Soluble |
| Functional Groups | c1cOCO1, c=O, cO, cOC, coc |
| Compound Name | Prosogerin A |
| Exact Mass | 312.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 312.27 |
| 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/C17H12O6/c1-20-16-5-10-11(18)6-14(23-15(10)7-12(16)19)9-2-3-13-17(4-9)22-8-21-13/h2-7,19H,8H2,1H3 |
| Smiles | COC1=C(C=C2C(=C1)C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4)O |
| 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 Prosopis Cineraria (Plant) Rel Props:Reference:ISBN:9788172363178; ISBN:9788185042114