1,2-Dihydroxypropane-1,2,3-tricarboxylic acid
PubChem CID: 123908
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| Compound Synonyms | hydroxycitric acid, 6205-14-7, Hydroxycitrate, 1,2-dihydroxypropane-1,2,3-tricarboxylic acid, 1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, Haes cpd, Regulator, Pentaric acid, 3-C-carboxy-2-deoxy-, 1,2-dihydroxypropane-1,2,3-tricarboxylicacid, Super CitriMax HCA 600SXS, Hydroxycitric Acid (Technical Grade), 3-C-Carboxy-2-deoxypentaric acid, 3-C-Carboxy-2-deoxypentaric Acid, 1,2-Dihydroxypropane-1,2,3-tricarboxylic Acid, Regulator, , GarciniaCambogiaExtract, SCHEMBL108615, CHEMBL2007728, DTXSID80863711, CHEBI:176344, ZMJBYMUCKBYSCP-UHFFFAOYSA-N, GAA20514, HY-N1437, AKOS015892847, NCGC00599719-01, FH147297, NCI60_037295, Hydroxycitric acid tripotassium monohydrate, CS-0016869, C22932, 1,2,3-Propanetricarboxylic acid, 1,2-dihydroxy-, A833552, Q2823270, (2R)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid, 1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 8CI |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | OC=O)CCCC=O)O))O))C=O)O))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Tricarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-dihydroxypropane-1,2,3-tricarboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8O8 |
| Inchi Key | ZMJBYMUCKBYSCP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | (-) hydroxycitric acid, (-)-hydroxycitric acid, (-)hydroxycitric acid, hydroxycitric acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 1,2-Dihydroxypropane-1,2,3-tricarboxylic acid |
| Exact Mass | 208.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.022 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 208.12 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13) |
| Smiles | C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Atroviridis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Garcinia Indica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 4. Outgoing r'ship
FOUND_INto/from Hibiscus Cannabinus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279