Coriandrinonediol
PubChem CID: 131752470
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| Compound Synonyms | Coriandrinonediol |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 33.0 |
| Description | Constituent of Coriandrum sativum (coriander). Coriandrinonediol is found in coriander and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 845.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (6aR,6aR,6bR,8aR,12aR,14S,14bS)-10,14-dihydroxy-4,4,6a,6b,9,9,12a,14b-octamethyl-3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydro-2H-picen-1-one |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 6.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Triterpenoids |
| Molecular Formula | C30H50O3 |
| Inchi Key | GGVUQGXIFKUXHY-RFXAPONZSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | Coriandrinonediol |
| Compound Name | Coriandrinonediol |
| Kingdom | Organic compounds |
| Exact Mass | 458.376 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 458.376 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 458.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C30H50O3/c1-25(2)13-11-23(33)30(8)19(25)9-16-29(7)24(30)18(31)17-21-27(5)14-12-22(32)26(3,4)20(27)10-15-28(21,29)6/h18-22,24,31-32H,9-17H2,1-8H3/t18-,19?,20-,21+,22?,24?,27-,28+,29+,30+/m0/s1 |
| Smiles | C[C@]12CCC(C([C@@H]1CC[C@@]3([C@@H]2C[C@@H](C4[C@]3(CCC5[C@@]4(C(=O)CCC5(C)C)C)C)O)C)(C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all