30-Methyl-28-oxodotriacont-29-enoic acid
PubChem CID: 71338159
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| Compound Synonyms | 114226-12-9, 30-METHYL-28-OXODOTRIACONT-29-ENOIC ACID, DTXSID30765776, DTXCID60716519 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Oxo fatty acids |
| Deep Smiles | CCC=CC=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O))))))))))))))))))))))))))))))C |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 523.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 30-methyl-28-oxodotriacont-29-enoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 13.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C33H62O3 |
| Inchi Key | WSXDHGDJDNUMIM-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 29.0 |
| Synonyms | 30-methyl-28-oxodotriacont-29-en-oic acid |
| Esol Class | Poorly soluble |
| Functional Groups | CC(=O)C=C(C)C, CC(=O)O |
| Compound Name | 30-Methyl-28-oxodotriacont-29-enoic acid |
| Exact Mass | 506.47 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.47 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 506.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C33H62O3/c1-3-31(2)30-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)36/h30H,3-29H2,1-2H3,(H,35,36) |
| Smiles | CCC(=CC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O)C |
| 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 Tridax Procumbens (Plant) Rel Props:Reference:ISBN:9788172361792