Homodolichosterone
PubChem CID: 14607932
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| Compound Synonyms | Homodolichosterone, 28-Homodolichosterone, 28-Methyldolichosterone, CHEBI:168064, 17-[(E)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Description | Constituent of Dolichos lablab (hyacinth bean) seed. Homodolichosterone is found in hyacinth bean and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 806.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-[(E)-3,4-dihydroxy-5-propan-2-ylhept-5-en-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 4.8 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Stigmastanes and derivatives |
| Molecular Formula | C29H48O5 |
| Inchi Key | DXUFRIYNOOTWEO-REZTVBANSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | 28-Homodolichosterone, 28-Methyldolichosterone, Homodolichosterone |
| Compound Name | Homodolichosterone |
| Kingdom | Organic compounds |
| Exact Mass | 476.35 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 476.35 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 476.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 12.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C29H48O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h7,15-16,18-22,24-27,31-34H,8-14H2,1-6H3/b17-7+ |
| Smiles | C/C=C(\C(C)C)/C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Stigmastanes and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Dolichos Lablab (Plant) Rel Props:Source_db:fooddb_chem_all