4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
PubChem CID: 12312989
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ZDFUASMRJUVZJP-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | (9Z)-9,10-Phenanthrenedione 9-oxime, 9,10-Phenanthrenedione, monooxime, 9,10-Phenanthrenequinone monoxime, Multiflorenol, Phenanthrenequinone monooxime |
| Heavy Atom Count | 31.0 |
| Compound Name | 4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol |
| Description | Multiflorenol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Multiflorenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Multiflorenol can be found in bitter gourd and muskmelon, which makes multiflorenol a potential biomarker for the consumption of these food products. |
| Exact Mass | 426.386 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.386 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 790.0 |
| 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 | 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3 |
| Smiles | CC1(CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C |
| Xlogp | 9.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H50O |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all