Lanosterol
PubChem CID: 246983
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| Compound Synonyms | lanosterol, 79-63-0, Lanosterin, Lanster, Botalan base 138, Lanosta-8,24-dienol, (3beta)-lanosta-8,24-dien-3-ol, Kryptosterol, Lanosta-8,24-dien-3beta-ol, Lanostereol, Botalan base, Lanostadien-3-beta-ol, Cryptosterol, CHEBI:16521, Lanosta-8,24-dien-3-ol, (3.beta.)-, NSC 60677, UNII-1J05Z83K3M, Lanosta-8,24-dien-3-ol, (3beta)-, Lanosta-8,24-dien-3-beta-ol, Lanosta-8,24-dien-3.beta.-ol, 1J05Z83K3M, LANOSTEROL [MI], NSC60677, EINECS 201-214-9, NSC-60677, (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, (3-beta)-Lanosta-8,24-dien-3-ol, (3.beta.)-Lanosta-8,24-dien-3-ol, BRN 2226449, 8,24-Lanostadien-3beta-ol, AI3-23643, DTXSID1040744, 3beta-Hydroxy-8,24-lanostadiene, 4,4',14alpha-Trimethyl-5alpha-cholesta-8,24-dien-3beta-ol, Lanosta-8,24-dien-3-ol, (3-beta)-, (3beta,20R)-Lanosta-8,24-dien-3-ol, Cholesta-8,24-dien-3-ol, 4,4,14-trimethyl-, (3beta,5alpha)-, Cholesta-8,24-dien-3-ol, 4,4,14-trimethyl-, (3.beta.,5.alpha.)-, Lanosterol (Technical Grade), (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-((R)-6-methylhept-5-en-2-yl)-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, (3beta,5alpha)-4,4,14-trimethylcholesta-8,24-dien-3-ol, 4,4,14alpha-trimethyl-5alpha-cholesta-8,24-dien-3beta-ol, Lanososterol, MFCD00021108, (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-((2R)-6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol, Lanosterol - 90%, LANOSTEROL [INCI], Lanosta-8, (3.beta.)-, Lanosterol, >=93%, powder, SCHEMBL145834, CHEMBL225111, GTPL2746, DTXCID9020744, 4,4,14 alpha-trimethyl-5 alpha-cholesta-8,24-dien-3 beta-ol, BDBM50459238, LMST01010017, s4755, (3 beta)-Lanosta-8,24-dien-3-ol, AKOS024307002, DB03696, FL71051, HY-W020033, Lanosta-8,24-dien-3beta-ol (8CI), NCGC00164398-01, FL159528, MS-27534, 1ST164264, CS-0031956, Lanosterol (Isocholesterol) - Lanosterol 60%, C01724, A929846, Q414996, (3alpha)-4,4,14-trimethyl-Cholesta-8,24-dien-3-ol, C4CA2F34-1C1A-4673-AC43-E547708CB228, Cholesta-8, 4,4,14-trimethyl-, (3.beta.,5.alpha.)-, (3beta,5alpha)-4,4,14-trimethyl-Cholesta-8,24-dien-3-ol, 8,24-Lanostadiene-3?-ol, Isocholesterol, 3?-Hydroxy-8,24-lanostadiene, (3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, 201-214-9 |
|---|---|
| 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 | CC=CCC[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 wool fat used e.g. as chewing-gum softenerand is) also from yeast Lanosterol is a tetracyclic triterpenoid, which is the compound from which all steroids are derived. Lanosterol is found in many foods, some of which are bitter gourd, rowal, fennel, and lemon grass. |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Classyfire Subclass | Triterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 767.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Enzyme Uniprot Id | P48449 |
| Uniprot Id | Q16850, P48449, Q15392, Q96W81, P10613, P9WPP1, Q07869, Q9Y6L6, Q9NPD5, n.a., P02511 |
| Iupac Name | (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 8.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Triterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H50O |
| Scaffold Graph Node Bond Level | C1CCC2C3=C(CCC2C1)C1CCCC1CC3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CAHGCLMLTWQZNJ-BQNIITSRSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.8666666666666667 |
| Logs | -6.675 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 5.972 |
| Synonyms | (3 beta)-Lanosta-8,24-dien-3-ol, (3alpha)-4,4,14-Trimethyl-cholesta-8,24-dien-3-ol, (3b,5a)-4,4,14-Trimethylcholesta-8,24-dien-3-ol, (3b)-Lanosta-8,24-dien-3-ol, (3beta,5alpha)-4,4,14-trimethyl-cholesta-8,24-dien-3-ol, (3beta,5alpha)-4,4,14-Trimethylcholesta-8,24-dien-3-ol, (3beta)-Lanosta-8,24-dien-3-ol, (3β,5α)-4,4,14-trimethylcholesta-8,24-dien-3-ol, (3β)-lanosta-8,24-dien-3-ol, 3beta-Hydroxy-8,24-lanostadiene, 4,4',14a-Trimethyl-5a-cholesta-8,24-dien-3b-ol, 4,4',14alpha-Trimethyl-5alpha-cholesta-8,24-dien-3beta-ol, 4,4',14α-trimethyl-5α-cholesta-8,24-dien-3β-ol, 8,24-Lanostadien-3beta-ol, Botalan base 138, Cryptosterol, Isocholesterol, Kryptosterol, Lanosta-8,24-dien-3-ol, Lanosta-8,24-dien-3-ol, (3&beta, )-, Lanosta-8,24-dien-3&beta, -ol, Lanosta-8,24-dien-3beta-ol, Lanosta-8,24-dienol, Lanosterin, Lanster, (3β)-Lanosta-8,24-dien-3-ol, (3β,5α)-4,4,14-Trimethylcholesta-8,24-dien-3-ol, 4,4',14α-Trimethyl-5α-cholesta-8,24-dien-3β-ol, (3beta,5alpha)-4,4,14-Trimethyl-cholesta-8,24-dien-3-ol, Lanosterol, 4,4,14 alpha-Trimethyl-5 alpha-cholesta-8,24-dien-3 beta-ol, 3beta-Hydroxy-lansota-8,24-dien-21-oic acid, 3beta-Hydroxylanosta-8,24-diene, 3β-Hydroxy-lansota-8,24-dien-21-oic acid, 3β-Hydroxylanosta-8,24-diene, 4,4,14alpha-Trimethylcholesta-8,24-dien-3beta-ol, 4,4,14α-Trimethylcholesta-8,24-dien-3β-ol, 5alpha-Lanosta-8,24-dien-3beta-ol, 5α-Lanosta-8,24-dien-3β-ol, Lanosta-8,24-dien-3β-ol, Lanostadien-3beta-ol, Lanostadien-3β-ol, lanosterol |
| 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, CC=C(C)C, CO |
| Compound Name | Lanosterol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.386 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 426.7 |
| 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 |
| Esol | -7.8350198 |
| Inchi | InChI=1S/C30H50O/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/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1 |
| Smiles | C[C@H](CCC=C(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 |
| Nring | 4.0 |
| 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 Actiniopteris Radiata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.764185 - 2. Outgoing r'ship
FOUND_INto/from Adiantum Caudatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bryum Rutilans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.998720 - 6. Outgoing r'ship
FOUND_INto/from Cheilocostus Speciosus (Plant) Rel Props:Reference:ISBN:9788172362133 - 7. Outgoing r'ship
FOUND_INto/from Citrullus Colocynthis (Plant) Rel Props:Reference:ISBN:9770972795006 - 8. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Reference:ISBN:9788172361150 - 10. Outgoing r'ship
FOUND_INto/from Dioscorea Deltoidea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Euphorbia Peplus (Plant) Rel Props:Reference:ISBN:9788172362300; ISBN:9788185042114 - 12. Outgoing r'ship
FOUND_INto/from Euphorbia Pulcherrima (Plant) Rel Props:Reference:ISBN:9788185042114 - 13. Outgoing r'ship
FOUND_INto/from Fagonia Indica (Plant) Rel Props:Reference:ISBN:9770972795006 - 14. Outgoing r'ship
FOUND_INto/from Ficus Lacor (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172362300 - 15. Outgoing r'ship
FOUND_INto/from Ficus Racemosa (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172363130 - 16. Outgoing r'ship
FOUND_INto/from Ficus Religiosa (Plant) Rel Props:Reference:ISBN:9789327275590 - 17. Outgoing r'ship
FOUND_INto/from Ficus Virens (Plant) Rel Props:Reference:ISBN:9788185042138 - 18. Outgoing r'ship
FOUND_INto/from Galium Aparine (Plant) Rel Props:Reference:ISBN:9788172362300; ISBN:9788185042145 - 19. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all - 20. Outgoing r'ship
FOUND_INto/from Hedysarum Multijugum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Heliotropium Ellipticum (Plant) Rel Props:Reference:ISBN:9770972795006 - 22. Outgoing r'ship
FOUND_INto/from Lablab Purpureus (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9780387706375 - 23. Outgoing r'ship
FOUND_INto/from Lannea Coromandelica (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172360818 - 24. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Reference:ISBN:9770972795006 - 25. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Reference:ISBN:9770972795006 - 26. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Reference:ISBN:9770972795006 - 27. Outgoing r'ship
FOUND_INto/from Lycium Europaeum (Plant) Rel Props:Reference:ISBN:9788172362461 - 28. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 29. Outgoing r'ship
FOUND_INto/from Lycopersicon Lycopersicum (Plant) Rel Props:Reference:ISBN:9788185042084 - 30. Outgoing r'ship
FOUND_INto/from Madhuca Longifolia (Plant) Rel Props:Reference:ISBN:9770972795006 - 31. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all - 32. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9788172361150 - 34. Outgoing r'ship
FOUND_INto/from Oenothera Biennis (Plant) Rel Props:Source_db:npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Paeonia Lactiflora (Plant) Rel Props:Source_db:npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Reference:ISBN:9788172360818 - 38. Outgoing r'ship
FOUND_INto/from Phlomis Regelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Physalis Alkekengi (Plant) Rel Props:Reference:ISBN:9788172361150 - 40. Outgoing r'ship
FOUND_INto/from Senecio Tenuifolius (Plant) Rel Props:Reference:ISBN:9788185042114 - 41. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 42. Outgoing r'ship
FOUND_INto/from Solanum Aculeatissimum (Plant) Rel Props:Reference:ISBN:9788185042084 - 43. Outgoing r'ship
FOUND_INto/from Solanum Anguivi (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172361150 - 44. Outgoing r'ship
FOUND_INto/from Solanum Dulcamara (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17396951 - 45. Outgoing r'ship
FOUND_INto/from Solanum Ferox (Plant) Rel Props:Reference:ISBN:9788172361150 - 46. Outgoing r'ship
FOUND_INto/from Solanum Incanum (Plant) Rel Props:Reference:ISBN:9788185042114 - 47. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Reference:ISBN:9788172361150 - 48. Outgoing r'ship
FOUND_INto/from Taraxacum Borealisinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 49. Outgoing r'ship
FOUND_INto/from Taraxacum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 50. Outgoing r'ship
FOUND_INto/from Taraxacum Mongolicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 51. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 52. Outgoing r'ship
FOUND_INto/from Taraxacum Platycarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Typha Domingensis (Plant) Rel Props:Reference:ISBN:9788190115162 - 54. Outgoing r'ship
FOUND_INto/from Typha Elephantina (Plant) Rel Props:Reference:ISBN:9788190115162 - 55. Outgoing r'ship
FOUND_INto/from Vaccaria Hispanica (Plant) Rel Props:Reference:ISBN:9788185042145 - 56. Outgoing r'ship
FOUND_INto/from Vitellaria Paradoxa (Plant) Rel Props:Source_db:fooddb_chem_all - 57. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all