(3beta)-23,24,24-Trimethyllanosta-9(11),25-dien-3-ol
PubChem CID: 14219463
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| Compound Synonyms | 62462-35-5, Lansiol, DTXSID201233884, (3beta)-23,24,24-Trimethyllanosta-9(11),25-dien-3-ol, (3I(2))-23,24,24-Trimethyllanosta-9(11),25-dien-3-ol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Np Classifier Class | Lanostane, Tirucallane and Euphane triterpenoids |
| Deep Smiles | CCCCCCC5C)CC=CC6CCCC6C)CCCC6C)C))O)))))))))))))C)))))CCCC=C)C))C)C))C |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Steroids and steroid derivatives |
| Description | Constituent of Clausena lansium (wampee). Lansiol is found in fruits. |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Classyfire Subclass | Ergostane steroids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 847.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,4,10,13,14-pentamethyl-17-(4,5,5,6-tetramethylhept-6-en-2-yl)-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Class | Steroids and steroid derivatives |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Ergostane steroids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C33H56O |
| Scaffold Graph Node Bond Level | C1=C2C3CCCCC3CCC2C2CCCC2C1 |
| Inchi Key | CGINCLVPUDBIKV-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | Lansiol, lansiol |
| Substituent Name | Lanostane triterpenoid, Polycyclic triterpenoid, Triterpenoid, Ergosterol-skeleton, Hydroxysteroid, 3-hydroxysteroid, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homopolycyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | C=C(C)C, CC=C(C)C, CO |
| Compound Name | (3beta)-23,24,24-Trimethyllanosta-9(11),25-dien-3-ol |
| Kingdom | Organic compounds |
| Exact Mass | 468.433 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 468.433 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 468.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C33H56O/c1-21(2)29(5,6)23(4)20-22(3)24-14-18-33(11)26-12-13-27-30(7,8)28(34)16-17-31(27,9)25(26)15-19-32(24,33)10/h15,22-24,26-28,34H,1,12-14,16-20H2,2-11H3 |
| Smiles | CC(CC(C)C(C)(C)C(=C)C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)O)C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Ergosterols and derivatives |
| Np Classifier Superclass | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Reference:ISBN:9788185042138