Ricinoleic acid, methyl ester
PubChem CID: 5354133
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| Compound Synonyms | Methyl ricinoleate, 141-24-2, Ricinoleic acid methyl ester, Flexricin P-1, Methyl ricinolate, RICINOLEIC ACID, METHYL ESTER, 90FDR3O96Y, DTXSID2029169, RICINIC ACID METHYL ESTER, (R,Z)-Methyl 12-hydroxyoctadec-9-enoate, HSDB 5636, DUB RM, methyl (Z,12R)-12-hydroxyoctadec-9-enoate, Methyl 12-hydroxyoleate, NSC 1254, NSC-1254, 9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)-, methyl (9Z,12R)-12-hydroxyoctadec-9-enoate, EINECS 205-472-3, AI3-10523, DTXCID509169, 9-Octadecenoic acid, 12-hydroxy-, methyl ester, (R-(Z))-, 9-Octadecenoic acid, 12-hydroxy-, methyl ester, METHYL RICINOLEATE [USP-RS], MFCD00046712, CIS-RICINOLEIC ACID METHYL ESTER, 9-Octadecenoic acid, 12-hydroxy-, methyl ester, [R-(Z)]-, RICINOLEIC ACID, METHYL ESTER [HSDB], 12-Hydroxy-9-octadecenoic acid, methyl ester, METHYL 12-D-HYDROXY-9-CIS-OCTADECENOATE, 41989-07-5, Methyl 12-hydroxy-9-octadecenoate, 9-Octadecenoic acid, 12-hydroxy-, methyl ester, (theta-(Z))-, METHYL RICINOLEATE (USP-RS), Ricinoleic acid-methyl ester, Ricinolic Acid Methyl Ester, UNII-90FDR3O96Y, Flexricin P1, 23224-20-6, Methyl castor oil fatty acid, SCHEMBL290360, Methyl 12hydroxy9octadecenoate, CHEMBL3183150, METHYL RICINOLEATE [INCI], NSC1254, CHEBI:156194, HY-N8045, Methyl ricinoleate, >=99% (GC), Tox21_200861, Ricinoleic acid, methyl ester (8CI), AKOS027320383, FM59536, Methyl 12-Hydroxy-9(Z)-octadecenoate, Methyl ricinoleate, analytical standard, NCGC00248854-01, NCGC00258415-01, 12Hydroxy9octadecenoic acid, methyl ester, AS-70362, CAS-141-24-2, 9Octadecenoic acid, 12hydroxy, methyl ester, CS-0139029, Methyl (9Z)-12-hydroxy-9-octadecenoate #, R0029, A11348, 12R-Hydroxy-9-cis-octadecenoic Acid methyl ester, (R)-12-Hydroxy-cis-9-octadecenoic acid methyl ester, 9Octadecenoic acid, 12hydroxy, methyl ester, (R(Z)), Q27271321, 9Octadecenoic acid, 12hydroxy, methyl ester, (9Z,12R), 9Octadecenoic acid, 12hydroxy, methyl ester, (theta(Z)), 9Octadecenoic acid, 12hydroxy, methyl ester, (R(Z)) (9CI), 9-Octadecenoic acid, 12-hydroxy-, methyl ester, (R-(Z))-(9CI), Methyl ricinoleate, European Pharmacopoeia (EP) Reference Standard, Methyl ricinoleate, United States Pharmacopeia (USP) Reference Standard, 205-472-3, Ricinoleic acid methyl ester, Methyl 12-hydroxyoleate, (R)-12-Hydroxy-cis-9-octadecenoic acid methyl ester |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | CCCCCC[C@H]C/C=CCCCCCCCC=O)OC)))))))))))))O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (Z,12R)-12-hydroxyoctadec-9-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H36O3 |
| Inchi Key | XKGDWZQXVZSXAO-ADYSOMBNSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 16.0 |
| Synonyms | methyl ricinolate, methyl ricinoleate, methyl-ricinolate, ricinoleic acid methyl ester |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CO, COC(C)=O |
| Compound Name | Ricinoleic acid, methyl ester |
| Exact Mass | 312.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 312.5 |
| 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 |
| Inchi | InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10-/t18-/m1/s1 |
| Smiles | CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Lacor (Plant) Rel Props:Reference:ISBN:9780387706375 - 2. Outgoing r'ship
FOUND_INto/from Ficus Racemosa (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172363130 - 3. Outgoing r'ship
FOUND_INto/from Ficus Virens (Plant) Rel Props:Reference:ISBN:9788185042138 - 4. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Reference:ISBN:9788185042053