3-Epicycloeucalenol
PubChem CID: 543796
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| Compound Synonyms | 3-epicycloeucalenol, 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, (3.beta.,4.alpha.,5.alpha.)-, CHEBI:175435, 1-(4-Isopropyl-1-methyl-4-pentenyl)-3a,6,12a-trimethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-ol #, 7,12,16-trimethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | HUNLTIZKNQDZEI-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 24-Methylene-29-norcycloartan-3-ol, 4,14-Dimethyl-9,19-cycloergost-24(28)-en-3-ol, 9CI, 4,14,24-Trimethyl-9,19-cyclocholest-24(28)-en-3-ol, 3-Epicycloeucalenol |
| Heavy Atom Count | 31.0 |
| Compound Name | 3-Epicycloeucalenol |
| Description | 3-epicycloeucalenol belongs to cycloartanols and derivatives class of compounds. Those are steroids containing a cycloartanol moiety. 3-epicycloeucalenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-epicycloeucalenol can be found in fruits, which makes 3-epicycloeucalenol a potential biomarker for the consumption of this food product. |
| Exact Mass | 426.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.386 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 739.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 426.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,12,16-trimethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3 |
| Smiles | CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(=C)C(C)C)C |
| Xlogp | 9.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H50O |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Coffea Arabica (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:fooddb_chem_all - 6. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all