2,4,5,6-Phenanthrenetetrol
PubChem CID: 129206075
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| Compound Synonyms | 2,4,5,6-phenanthrenetetrol, phenanthrene-2,4,5,6-tetrol, SCHEMBL18940921, CHEBI:174250, 2,4,5,6-Tetrahydroxyphenanthrene, DTXSID401311474, 68570-34-3 |
|---|---|
| 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)ccc6)cccc6cO)ccc6))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Description | Isolated from rhizomes of Dioscorea bulbifera (air potato). 2,4,5,6-Phenanthrenetetrol is found in root vegetables. |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CCCCC12 |
| Classyfire Subclass | Phenanthrols |
| 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 | phenanthrene-2,4,5,6-tetrol |
| Class | Phenanthrenes and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.0 |
| Superclass | Benzenoids |
| Subclass | Phenanthrols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H10O4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)ccc1ccccc12 |
| Inchi Key | JSLUYTKYLIDAEB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 2,4,5,6-Tetrahydroxyphenanthrene, 2,4,5,6-tetrahydroxyphenanthrene |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 2,4,5,6-Phenanthrenetetrol |
| Kingdom | Organic compounds |
| Exact Mass | 242.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 242.23 |
| 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/C14H10O4/c15-9-5-8-2-1-7-3-4-10(16)14(18)13(7)12(8)11(17)6-9/h1-6,15-18H |
| Smiles | C1=CC2=CC(=CC(=C2C3=C1C=CC(=C3O)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenanthrols |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Bulbifera (Plant) Rel Props:Reference:ISBN:9770972795006