Hibiscetin
PubChem CID: 15559735
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| Compound Synonyms | Hibiscetin, 3,5,7,8-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, 577-24-2, SCHEMBL12640014, DTXSID101156102, LMPK12113272, 3,5,7,8,3',4',5'-heptahydroxyflavone, 3,5,7,8-Tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 168.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | Occcccc6O))O)))coccO)cO)ccc6c=O)c%10O))))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 535.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7,8-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O9 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | ZPFXBGIJKDANBP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | hibiscetin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Hibiscetin |
| Exact Mass | 334.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.032 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 334.23 |
| Gi Absorption | False |
| 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/C15H10O9/c16-5-3-8(19)11(21)15-9(5)12(22)13(23)14(24-15)4-1-6(17)10(20)7(18)2-4/h1-3,16-21,23H |
| Smiles | C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Sabdariffa (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9770972795006