Platanin
PubChem CID: 627136
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Platanin, 3,5,7,8-tetrahydroxy-6-methyl-2-phenylchromen-4-one, JPYBEETXHUPGHX-UHFFFAOYSA-N, 4H-1-Benzopyran-4-one, 3,5,7,8-tetrahydroxy-6-methyl-2-phenyl-, LMPK12113082, 114567-39-4, 3,5,7,8-Tetrahydroxy-6-methyl-2-phenyl-4H-chromen-4-one #, (4H)1-Benzopyran-4-one, 3,5,7,8-tetrahydroxy-6-methyl-2-phenyl- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCCC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | OccC)cO)ccc6O))occc6=O))O))cccccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CCCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7,8-tetrahydroxy-6-methyl-2-phenylchromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O6 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Inchi Key | JPYBEETXHUPGHX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | platanin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Platanin |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| 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/C16H12O6/c1-7-10(17)9-12(19)14(21)15(8-5-3-2-4-6-8)22-16(9)13(20)11(7)18/h2-6,17-18,20-21H,1H3 |
| Smiles | CC1=C(C2=C(C(=C1O)O)OC(=C(C2=O)O)C3=CC=CC=C3)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 Platanus Orientalis (Plant) Rel Props:Reference:ISBN:9780387706375