Hydroxycitric acid lactone
PubChem CID: 9991606
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| Compound Synonyms | Garcinia lactone, 27750-13-6, (-)-Hydroxycitric acid lactone, Hydroxycitric acid lactone, (+)-Garcinia acid, D-Erythro-pentaric acid, 3-c-carboxy-2-deoxy-, 1,4-lactone, Hydroxycitric acid lactone [MI], UNII-7X481546MI, 7X481546MI, CHEMBL2165253, (2S,3S)-3-HYDROXY-5-OXOOXOLANE-2,3-DICARBOXYLIC ACID, CHEBI:68235, HYDROXYCITRIC ACID LACTONE, (-)-(P), SCHEMBL6541949, HY-N7347R, DTXSID60433810, (2S,3S)-3-Hydroxy-5-oxotetrahydrofuran-2,3-dicarboxylic acid, HY-N7347, BDBM50394667, Hydroxycitric acid lactone,(-)-(p), AKOS006295355, (+)-Garcinia acid, analytical standard, DA-59406, MS-23024, (-)-Hydroxycitric acid lactone (Standard), CS-0113506, G13357, Q27136727, (2S,3S)-3-Hydroxy-5-oxotetrahydrofuran-2,3-dicarboxylicacid, (2S,3S)-3-hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylic acid, HYDROXYCITRIC ACID LACTONE (CONSTITUENT OF GARCINIA CAMBOGIA AND GARCINIA INDICA), HYDROXYCITRIC ACID LACTONE (CONSTITUENT OF GARCINIA CAMBOGIA AND GARCINIA INDICA) [DSC] |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | O=CO[C@@H][C@]C5)O)C=O)O)))C=O)O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Scaffold Graph Node Level | OC1CCCO1 |
| Classyfire Subclass | Tricarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P16638 |
| Iupac Name | (2S,3S)-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H6O7 |
| Scaffold Graph Node Bond Level | O=C1CCCO1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFHZIWAVXDSFTB-CVYQJGLWSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Logs | -0.504 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.545 |
| Synonyms | (-)- hydroxycitric acid lactone, (-)-hydroxycitric acid lactone, hydroxycitric acid lactone |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CC(=O)OC, CO |
| Compound Name | Hydroxycitric acid lactone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.011 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.011 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 190.11 |
| 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 |
| Esol | -0.11176339999999996 |
| Inchi | InChI=1S/C6H6O7/c7-2-1-6(12,5(10)11)3(13-2)4(8)9/h3,12H,1H2,(H,8,9)(H,10,11)/t3-,6+/m1/s1 |
| Smiles | C1C(=O)O[C@@H]([C@@]1(C(=O)O)O)C(=O)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 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:ISBN:9770972795006 - 4. Outgoing r'ship
FOUND_INto/from Marrubium Velutinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all