24-Ethyl-5alpha-cholest-7-en-3beta-ol
PubChem CID: 131751392
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| Compound Synonyms | 22-Dihydrospinasterol, 7-Stigmasten-3beta -ol, 24alpha -Ethyllathosterol, 22,23-Dihydro-a-spinasterol, 5alpha -stigma-7-en-3beta -ol, 5alpha -Stigmast-7-en-3beta -ol, 16,17,25,26-Tetrahydro-Elasterol, (3beta ,5alpha )-Stigmast-7-en-3-ol, 24-Ethyl-5alpha -cholest-7-en-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 | Stigmastane steroids |
| Deep Smiles | CC[C@H]CC)C))CC[C@H][C@H]CCC[C@]5C)CCCC6=CC[C@@H][C@]6C)CC[C@@H]C6)O)))))))))))))))))C |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Steroids and steroid derivatives |
| Description | Constituent of cucumber leaves (Cucumis sativus). Schottenol is found in many foods, some of which are watermelon, oat, muskmelon, and sesame. |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1C3CCCC3CCC21 |
| Classyfire Subclass | Stigmastanes and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 634.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (3S,5S,10S,13R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Class | Steroids and steroid derivatives |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Stigmastanes and derivatives |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H50O |
| Scaffold Graph Node Bond Level | C1=C2C3CCCC3CCC2C2CCCCC2C1 |
| Inchi Key | YSKVBPGQYRAUQO-BSTNUWHUSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | (3&beta, ,5&alpha, )-Stigmast-7-en-3-ol, (3beta ,5alpha )-Stigmast-7-en-3-ol, 16,17,25,26-Tetrahydro-elasterol, 16,17,25,26-Tetrahydroelasterol, 22-Dihydrochondrillasterol, 22-Dihydrospinasterol, 22,23-Dihydro-a-spinasterol, 24-Ethyl-5&alpha, -cholest-7-en-3&beta, -ol, 24-Ethyl-5alpha -cholest-7-en-3beta -ol, 24&alpha, -Ethyllathosterol, 24alpha -Ethyllathosterol, 5&alpha, -stigma-7-en-3&beta, -ol, 5&alpha, -Stigmast-7-en-3&beta, -ol, 5alpha -Stigma-7-en-3beta -ol, 5alpha -Stigmast-7-en-3beta -ol, 7-Stigmasten-3&beta, -ol, 7-Stigmasten-3beta -ol, Elasterol, 16,17,25,26-tetrahydro-, Schottenol, 22 dihydrospinasterol, 22-dihydro-spinasterol, 22-dihydrospinasterol, dihydrospinasterol |
| Substituent Name | Polycyclic triterpenoid, Triterpenoid, Stigmastane-skeleton, 3-beta-hydroxy-delta-7-steroid, 3-beta-hydroxysteroid, Hydroxysteroid, 3-hydroxysteroid, 3-hydroxy-delta-7-steroid, Delta-7-steroid, Cyclic alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic homopolycyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | 24-Ethyl-5alpha-cholest-7-en-3beta-ol |
| Kingdom | Organic compounds |
| Exact Mass | 414.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 414.386 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 414.7 |
| 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/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21+,22+,23+,25-,26?,27?,28+,29-/m1/s1 |
| Smiles | CC[C@@H](CC[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Steroids |
- 1. Outgoing r'ship
FOUND_INto/from Ageratum Conyzoides (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Anagallis Arvensis (Plant) Rel Props:Reference:ISBN:9788172362089; ISBN:9788185042145 - 4. Outgoing r'ship
FOUND_INto/from Arenaria Serpyllifolia (Plant) Rel Props:Reference:ISBN:9788172362089 - 5. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Cucurbita Foetidissima (Plant) Rel Props:Reference:ISBN:9788172362133 - 10. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 11. Outgoing r'ship
FOUND_INto/from Erigeron Karvinskianus (Plant) Rel Props:Reference:ISBN:9788172362300 - 12. Outgoing r'ship
FOUND_INto/from Erigeron Kumaunensis (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362300; ISBN:9788185042145 - 13. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all - 14. Outgoing r'ship
FOUND_INto/from Lactuca Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Lagenaria Siceraria (Plant) Rel Props:Reference:ISBN:9788172361792 - 16. Outgoing r'ship
FOUND_INto/from Luffa Cylindrica (Plant) Rel Props:Reference:ISBN:9788172361792 - 17. Outgoing r'ship
FOUND_INto/from Senna Alata (Plant) Rel Props:Reference:ISBN:9788185042138 - 18. Outgoing r'ship
FOUND_INto/from Senna Occidentalis (Plant) Rel Props:Reference:ISBN:9788185042138 - 19. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:fooddb_chem_all