g-Crocetin
PubChem CID: 131751665
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| Compound Synonyms | g-Crocetin, 8,8'-Diapo-psi,psi-carotenedioic acid dimethyl ester |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Description | Isolated from saffron. gamma-Crocetin is found in saffron and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dimethyl (2E,4E,6Z,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 6.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C22H28O4 |
| Inchi Key | OXNHRKGZZFWUQZ-KYBHHSLLSA-N |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Synonyms | 8,8'-Diapo-psi,psi-carotenedioic acid dimethyl ester, Crocetine dimethyl ester, g-Crocetin, Γ-crocetin, 8,8'-diapo-Psi,psi-carotenedioic acid dimethyl ester, 1,16-Dimethyl (2Z,6E,8E,10Z,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid |
| Compound Name | g-Crocetin |
| Kingdom | Organic compounds |
| Exact Mass | 356.199 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 356.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 356.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 7.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11-,18-12+,19-15+,20-16- |
| Smiles | C/C(=C\C=C\C=C(\C)/C=C/C=C(\C)/C(=O)OC)/C=C/C=C(/C)\C(=O)OC |
| Defined Bond Stereocenter Count | 7.0 |
| Taxonomy Direct Parent | Acyclic diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all