9,10-Dihydro-2,3,5,7-Phenanthrenetetrol
PubChem CID: 22753774
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| Compound Synonyms | 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol, 9,10-dihydrophenanthrene-2,3,5,7-tetrol, SCHEMBL11505126, CHEBI:174259, DTXSID001279866, 22318-82-7, 2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene, 2,4,6,7-tetrahydroxy-9,10-dihydrophenanthrene, 2,4,6,7-Tetrahydroxy-9-10-dihydrophenanthrene |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC2C(C1)CCC1CCCCC12 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | OcccO)c-cccO)ccc6CCc%10c%14))))))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Description | Isolated from Dioscorea bulbifera (air potato). 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol is found in root vegetables. |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CCCCC12 |
| Classyfire Subclass | Hydrophenanthrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 308.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,10-dihydrophenanthrene-2,3,5,7-tetrol |
| Class | Phenanthrenes and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.4 |
| Superclass | Benzenoids |
| Subclass | Hydrophenanthrenes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCc1ccccc1-2 |
| Inchi Key | NIGUICNPKCJLJQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 2,3,5,7-Tetrahydroxy-9,10-dihydrophenanthrene, 2,4,6,7-Tetrahydroxy-9-10-dihydrophenanthrene, 2,4,6,7-tetrahydroxy-9,10-dihydrophenanthrene |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 9,10-Dihydro-2,3,5,7-Phenanthrenetetrol |
| Kingdom | Organic compounds |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H12O4/c15-9-3-8-2-1-7-4-11(16)12(17)6-10(7)14(8)13(18)5-9/h3-6,15-18H,1-2H2 |
| Smiles | C1CC2=C(C3=CC(=C(C=C31)O)O)C(=CC(=C2)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Hydrophenanthrenes |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Bulbifera (Plant) Rel Props:Reference:ISBN:9770972795006