Oleuropeic acid
PubChem CID: 188320
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| Compound Synonyms | Oleuropeic acid, 5027-76-9, CHEMBL4796626, DTXSID20198271, (4S)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylic acid, Rac-Oleuropeic Acid, (+/-)-oleuropeic acid, Oleuropeate, rac-Oleuropeate, (S)-Oleuropeate, (4s)-4-(2-hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylic acid, (+/-)-oleuropeate, DTXCID50120762, (4S)-4-(1-Hydroxy-1-methylethyl)-1-cyclohexene-1-carboxylic acid, (-)-Oleuropeic acid, BDBM50553896, AKOS040762985, FS-9931, CS-0023352, 4-(2-Hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylate, (S)-4-(2-Hydroxypropan-2-yl)cyclohex-1-ene-1-carboxylic acid, 76509-35-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | OC=O)C=CC[C@H]CC6))CO)C)C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | O00748 |
| Iupac Name | (4S)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylic acid |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O3 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | BFYWJELXORKNFO-MRVPVSSYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | oleuropeic acid |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)C(=O)O, CO |
| Compound Name | Oleuropeic acid |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H16O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3,8,13H,4-6H2,1-2H3,(H,11,12)/t8-/m1/s1 |
| Smiles | CC(C)([C@H]1CCC(=CC1)C(=O)O)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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