Eburicol
PubChem CID: 9803310
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| Compound Synonyms | Eburicol, Ebericol, 6890-88-6, Obtusifoldienol, 24-Methylenelanostenol, 24-Methylenelanost-8-en-3beta-ol, 24-Methylenedihydrolanosterol, CHEBI:70315, 24-methylene-24-dihydrolanosterol, 24-Methylene-24,25-dihydrolanosterol, Lanost-8-en-3.beta.-ol, 24-methylene-, (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, Lanost-8-en-3-ol, 24-methylene-, (3.beta.)-, 24-methylidenelanost-8-en-3beta-ol, (3beta)-24-methylidenelanost-8-en-3-ol, 4,4,10,13,14-pentamethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol, 24-methylenelanost-8-en-3 beta-ol, (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-((2R)-6-methyl-5-methylideneheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol, 24-methylene lanosterol, SCHEMBL4169147, CHEMBL1644796, 24-Methylenelanost-8-en-3b-ol, DTXSID401319161, 24-Methylenelanost-8-en-3-ol #, 24-Methylenelanost-8-en-3I2-ol, (3b)-24-Methylidenelanost-8-en-3-ol, Lanost-8-en-3beta-ol, 24-methylene-, DA-60082, MS-27926, HY-123081, CS-0081164, Lanost-8-en-3-ol, 24-methylene-, (3beta)-, Q27138657, 4,4,14alpha-trimethyl-5alpha-ergosta-8,24(28)-dien-3beta-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 | CCC=C)CC[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 | 32.0 |
| Classyfire Class | Prenol lipids |
| Description | 24-methylene-24-dihydrolanosterol, also known as 24-methylenelanost-8-en-3beta-ol or ebericol, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. 24-methylene-24-dihydrolanosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24-methylene-24-dihydrolanosterol can be found in cucumber, which makes 24-methylene-24-dihydrolanosterol a potential biomarker for the consumption of this food product. |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Classyfire Subclass | Triterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 786.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Prediction Hob | 0.0 |
| 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 | C31H52O |
| Scaffold Graph Node Bond Level | C1CCC2C3=C(CCC2C1)C1CCCC1CC3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XJLZCPIILZRCPS-ANMPWZFDSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.8709677419354839 |
| Logs | -6.644 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.999 |
| Synonyms | (3beta)-24-Methylidenelanost-8-en-3-ol, 24-Methylene-24,25-dihydrolanosterol, 24-Methylenelanost-8-en-3beta-ol, Obtusifoldienol, (3b)-24-Methylidenelanost-8-en-3-ol, (3Β)-24-methylidenelanost-8-en-3-ol, 24-Methylenelanost-8-en-3b-ol, 24-Methylenelanost-8-en-3β-ol, Ebericol, (14)C-labeled, Euphorbol, 24-Methylenelanost-8-en-3 beta-ol, Ebericol, 24-methylene-24-dihydrolanosterol, 24-methylene-lanost-8-en-3β-ol, 24-methylenelanost-8-en-3β-ol, obtusifoldienol |
| Esol Class | Poorly soluble |
| Functional Groups | C=C(C)C, CC(C)=C(C)C, CO |
| Compound Name | Eburicol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.402 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 440.7 |
| 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 | -8.189887200000001 |
| Inchi | InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h20,22-23,26-27,32H,3,10-19H2,1-2,4-9H3/t22-,23-,26+,27+,29-,30-,31+/m1/s1 |
| Smiles | C[C@H](CCC(=C)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 Adiantum Caudatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bryum Rutilans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cajanus Cajan (Plant) Rel Props:Reference:ISBN:9788172362089 - 4. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Reference:ISBN:9788172361150 - 5. Outgoing r'ship
FOUND_INto/from Cicer Arietinum (Plant) Rel Props:Reference:ISBN:9770972795006 - 6. Outgoing r'ship
FOUND_INto/from Coccinia Grandis (Plant) Rel Props:Reference:ISBN:9770972795006 - 7. Outgoing r'ship
FOUND_INto/from Colubrina Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Reference:ISBN:9788172361792 - 9. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 10. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Reference:ISBN:9788172361150 - 11. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Reference:ISBN:9770972795006 - 12. Outgoing r'ship
FOUND_INto/from Hedysarum Multijugum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Mimusops Elengi (Plant) Rel Props:Reference:ISBN:9770972795006 - 14. Outgoing r'ship
FOUND_INto/from Mosla Scabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Reference:ISBN:9770972795006 - 16. Outgoing r'ship
FOUND_INto/from Orthosiphon Wulfenioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Paeonia Lactiflora (Plant) Rel Props:Source_db:npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Phlomis Regelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Reference:ISBN:9788172362461 - 21. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Reference:ISBN:9788172361150