24,25-Dihydrolanosterol
PubChem CID: 440560
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| Compound Synonyms | Dihydrolanosterol, 79-62-9, 24,25-Dihydrolanosterol, Lanostenol, Dihydrolanosterin, 5alpha-Lanost-8-en-3beta-ol, 24-dihydrolanosterol, Lanosterol, dihydro-, 3beta-Hydroxylanost-8-ene, Lanost-8-en-3-ol, (3.beta.)-, UNII-9H273A8B2X, (3beta)-Lanost-8-en-3-ol, 5alpha-Lanost-8-en-3 beta-ol, Lanost-8-en-3.beta.-ol, CHEBI:28113, 9H273A8B2X, (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, 4,4,14alpha-trimethyl-5alpha-cholesta-8-en-3beta-ol, 4,4,14.ALPHA.-TRIMETHYL-5.ALPHA.-CHOLEST-8-EN-3.BETA.-OL, (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, Lanostenol, Dihydrolanosterin, (3 beta)-lanost-8-en-3-ol, (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-((2R)-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol, Lanost-8-en-3-ol, Lanost-8-en-3beta-ol, Lanost-8-en-3-ol #, SCHEMBL288306, DIHYDROLANOSTEROL [INCI], CHEMBL4213010, Lanost-8-en-3-ol, (3beta)-, DTXSID101000181, LMST01010087, AKOS040763665, FD65406, (3S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, DA-62882, MS-27601, 5.ALPHA.-LANOST-8-EN-3.BETA.-OL, HY-122410, CS-0085117, 4,4,14a-trimethyl-5a-cholesta-8-en-3b-ol, C05109, G12566, 4,4,14alpha-trimethyl-5alpha-cholest-8-en-3beta-ol, Q27103510 |
|---|---|
| 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 | CCCCC[C@H][C@H]CC[C@@][C@]5C)CCC=C6CC[C@@H][C@]6C)CC[C@@H]C6C)C))O)))))))))))))C)))))C)))))C |
| Heavy Atom Count | 31.0 |
| Pathway Kegg Map Id | map00100 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of numerous plant and fungal subspecies [CCD] 24,25-Dihydrolanosterol is involved in the biosynthesis of steriods. 24,25-Dihydrolanosterol is reversibly converted to lanosterol by delta24-sterol reductase [EC:1.3.1.72]. 3beta-Lanostenol is found in many foods, some of which are red bell pepper, orange bell pepper, yellow bell pepper, and green bell pepper. |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Classyfire Subclass | Triterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 716.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Uniprot Id | Q15392, P02511 |
| Iupac Name | (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Triterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H52O |
| Scaffold Graph Node Bond Level | C1CCC2C3=C(CCC2C1)C1CCCC1CC3 |
| Inchi Key | MBZYKEVPFYHDOH-BQNIITSRSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | (3beta)-Lanost-8-en-3-ol, 24-Dihydrolanosterol, 24,25-Dihydrolanosterol, 3b-Lanostenol, 4,4,14-Trimethylcholest-8-en-3beta-ol, Dihydrolanosterol, Lanost-8-en-3beta-ol, Lanostenol, (3beta,20S)-Isomer OF lanostenol, (3beta,5XI,14xi)-isomer OF lanostenol, 5 alpha-Lanost-8-en-3 beta-ol, 24,25-dihydrolanosterol, lanostenol |
| Substituent Name | Tirucallane-euphane triterpenoid, 3-beta-hydroxysteroid, Hydroxysteroid, 3-hydroxysteroid, Steroid, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homopolycyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=C(C)C, CO |
| Compound Name | 24,25-Dihydrolanosterol |
| Kingdom | Organic compounds |
| Exact Mass | 428.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 428.402 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 428.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1 |
| Smiles | C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Triterpenoids |
| Np Classifier Superclass | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vaccaria Hispanica (Plant) Rel Props:Reference:ISBN:9780387706375