Ricinoleic acid
PubChem CID: 643684
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| Compound Synonyms | RICINOLEIC ACID, 141-22-0, Ricinolic acid, Ricinic acid, (R,Z)-12-Hydroxyoctadec-9-enoic acid, (9Z,12R)-12-hydroxyoctadec-9-enoic acid, Kyselina ricinolova, D-12-Hydroxyoleic acid, 12-Hydroxy-cis-9-octadecenoic acid, l'acide ricinoleique, 12-hydroxyoleic acid, Acide ricinoleique, Oleic acid, 12-hydroxy-, Ricinolsaeure, Kyselina 12-hydroxy-9-oktadecenova, Nouracid CS 80, NSC 281242, 9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-, UNII-I2D0F69854, CHEBI:28592, HSDB 5634, EINECS 205-470-2, 9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-, I2D0F69854, (9Z,12R)-12-Hydroxy-9-octadecensaeure, (Z,12R)-12-hydroxyoctadec-9-enoic acid, 12-Hydroxy-9-octadecenoic acid, (R-(Z))-12-Hydroxy-9-octadecenoic acid, 9-Octadecenoic acid, 12-hydroxy-, (Z)-, AI3-17956, (9Z,12R)-12-Hydroxy-9-octadecenoic acid, 9-Octadecenoic acid, 12-hydroxy-, (cis)-, DTXSID0041567, 12-Hydroxyoctadeca-9-enoic acid, 12R-hydroxy-9Z-octadecenoic acid, 9-Octadecenoic acid, 12-hydroxy-, (R-(Z))-, 9-Octadecenoic acid, 12-hydroxy-, MFCD00084840, (9Z)-(12R)-Hydroxyoctadecenoic acid, 12-D-Hydroxy-9-cis-octadecenoic acid, NSC-281242, (Z,R)-12-hydroxyoctadec-9-enoic acid, 12-OH 9c-18:1, (cis,R)-12-hydroxyoctadec-9-enoic acid, (R)-12-Hydroxy-cis-9-octadecenoic acid, Ricinolic Acid (~80%), 9-Octadecenoic acid, 12-hydroxy-, (theta-(Z))-, Riconoleic acid, DTXCID8021567, RICINOLEIC ACID (MART.), Ricinoleic acid (purity inverted exclamation markY99%), RICINOLEIC ACID [MART.], Ricinolic Acid (50% w/w Ethanol), [r]-12-hydroxy-cis-9-octadecenoic acid, CAS-141-22-0, NCGC00161336-02, Acide ricinoleique [French], Kyselina ricinolova [Czech], ricinoleic-acid, l'Acide ricinoleique [French], 12-hydroxy-9-octadecenic acid, 9-Octadecenoic acid,12-hydroxy-,(Z)-, NCGC00181322-01, VESPULA PENSYLVANICA B708568K062, UNII-KD8T3W6VZX, Kyselina 12-hydroxy-9-oktadecenova [Czech], KD8T3W6VZX, Ricinoleic acid, >=99%, Ricinoleic acid, tech grade, SCHEMBL18144, Flexricin 100 (Salt/Mix), RICINOLEIC ACID [MI], RICINOLEIC ACID [HSDB], BML2-F10, HY-N6070AR, RICINOLEIC ACID [VANDF], 9-Octadecenoicacid,12-hydroxy-, CHEMBL3186422, HY-N6070A, RICINOLEIC ACID [WHO-DD], HY-N6070, 12-Hydroxy-9(Z)-octadecenoic acid, cis-12-hydroxyoctadec-9-enoic acid, Ricinoleic acid, analytical standard, Tox21_113406, Tox21_301098, LMFA02000184, 12R-Hydroxy-9-cis-octadecenoic Acid, AKOS016005826, DB02955, 9-Octadecenoic acid, 12-hydroxy-(cis), NCGC00161336-01, NCGC00161336-03, NCGC00181089-01, NCGC00254998-01, (9Z)-12-Hydroxy-9-octadecenoic acid #, AS-65782, FH144291, CS-0032307, CS-0204122, NS00009663, R0027, C08365, F82175, Ricinoleic acid, Vetec(TM) reagent grade, 80%, A885691, EN300-21584706, Q424484, BRD-K33682646-001-02-7, Ricinoleic acid (purity inverted exclamation markY99%) (Standard), 205-470-2, InChI=1/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids, Other Octadecanoids |
| Deep Smiles | CCCCCC[C@H]C/C=CCCCCCCCC=O)O))))))))))))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | O14842, Q5NUL3, Q03181, P10275, P04792, P05412 |
| Iupac Name | (Z,12R)-12-hydroxyoctadec-9-enoic acid |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT869, NPT4003 |
| Xlogp | 5.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H34O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBHHMMIMDMUBKC-QJWNTBNXSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.8333333333333334 |
| Logs | -3.828 |
| Rotatable Bond Count | 15.0 |
| Logd | 2.431 |
| Synonyms | 12-hydroxyoctadec-cis-9-enoic acid (ricinoleic acid), ricinoleic, ricinoleic acid, ricinoleic acids |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CC(=O)O, CO |
| Compound Name | Ricinoleic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.562395399999999 |
| Inchi | InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1 |
| Smiles | CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates, Octadecanoids |
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