(3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol
PubChem CID: 623142
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol, delta-7,25-Stigmastadienol, 14-(5-ethyl-6-methylhept-6-en-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol, 17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol, 5alpha-Stigmasta-7,25-dien-3beta-ol, 14-(5-ethyl-6-methylhept-6-en-2-yl)-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-9-en-5-ol, 17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol, 6785-58-6, 5.alpha.-Stigmasta-7,25-dien-3.beta.-ol, Stigmasta-7,25-dien-3-ol, (3.beta.,5.alpha.)-, CHEBI:173033, LMST01040239, (3b,5a,24S)-Stigmasta-7,25-dien-3-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Constituent of Momordica charantia (bitter melon) and Cucurbita pepo. (3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol is found in watermelon, cucumber, and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 676.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Prediction Hob | 1.0 |
| Class | Steroids and steroid derivatives |
| Xlogp | 9.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Stigmastanes and derivatives |
| Molecular Formula | C29H48O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CMQUSRGUOMCHOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.8620689655172413 |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Synonyms | 5&alpha, -Stigmasta-7,25-dien-3&beta, -ol, 5alpha-Stigmasta-7,25-dien-3beta-ol, delta-7,25-Stigmastadienol, (3b,5a,24S)-Stigmasta-7,25-dien-3-ol, (3Β,5α,24S)-stigmasta-7,25-dien-3-ol |
| Compound Name | (3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.371 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 412.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -7.679052400000001 |
| Inchi | InChI=1S/C29H48O/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/h11,20-23,25-27,30H,2,7-10,12-18H2,1,3-6H3 |
| Smiles | CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(=C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Stigmastanes and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all