Hexahydroxydiphenic acid
PubChem CID: 10315050
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Hexahydroxydiphenic acid, CHEMBL5179584, SCHEMBL674849, DTXSID901029565, BDBM50595332, 4,4',5,5',6,6'-hexahydroxydiphenic acid, Q5748807 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 196.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Np Classifier Class | Gallotannins |
| Deep Smiles | OC=O)cccO)ccc6cccccc6O))O))O)))C=O)O)))))O))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Tannins |
| Scaffold Graph Node Level | C1CCC(C2CCCCC2)CC1 |
| Classyfire Subclass | Hydrolyzable tannins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(6-carboxy-2,3,4-trihydroxyphenyl)-3,4,5-trihydroxybenzoic acid |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H10O10 |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccccc2)cc1 |
| Inchi Key | MFTSECOLKFLUSD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | hexahydroxydiphenic acid |
| Esol Class | Soluble |
| Functional Groups | cC(=O)O, cO |
| Compound Name | Hexahydroxydiphenic acid |
| Exact Mass | 338.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.027 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 338.22 |
| 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/C14H10O10/c15-5-1-3(13(21)22)7(11(19)9(5)17)8-4(14(23)24)2-6(16)10(18)12(8)20/h1-2,15-20H,(H,21,22)(H,23,24) |
| Smiles | C1=C(C(=C(C(=C1O)O)O)C2=C(C(=C(C=C2C(=O)O)O)O)O)C(=O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:ISBN:9788172361150