Zeaxanthin 3,6-epoxide (incorr.)
PubChem CID: 131751704
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| Compound Synonyms | Cucurbitaxanthin A, Zeaxanthin 3,6-epoxide (incorr.), 3,6-Epoxy-5,6-dihydro-b,b-carotene-3',5-diol, (3S,3'R,5R,6R)-3,6-Epoxy-5,6-dihydro-3',5-dihydroxy-beta,beta-carotene |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 43.0 |
| Description | Constituent of pumpkin (Cucurbita maxima) and of paprika (Capsicum annuum variety longum) fruits. Cucurbitaxanthin A is found in many foods, some of which are green bell pepper, winter squash, orange bell pepper, and japanese pumpkin. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1330.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(1E,3Z,5E,7Z,9Z,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 10.3 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H56O3 |
| Inchi Key | LMIFPRVTIOZTJN-NYORYHGYSA-N |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Synonyms | (3S,3'R,5R,6R)-3,6-Epoxy-5,6-dihydro-3',5-dihydroxy-beta,beta-carotene, 3,6-Epoxy-5,6-dihydro-b,b-carotene-3',5-diol, Zeaxanthin 3,6-epoxide (incorr.), (3S,3'r,5R,6R)-3,6-Epoxy-5,6-dihydro-3',5-dihydroxy-beta,beta-carotene, Cucurbitaxanthin a, (3beta)-Lanosta-7,9(11),24-triene-3,26,27-triol, Lanosta-7,9(11),24-triene-3,26,27-triol, Ganodermatriol |
| Compound Name | Zeaxanthin 3,6-epoxide (incorr.) |
| Kingdom | Organic compounds |
| Exact Mass | 584.423 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 584.423 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 584.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 9.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11-,17-13+,18-14+,22-21+,24-23+,29-15+,30-16-,31-19+,32-20- |
| Smiles | CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C\C=C(\C)/C=C/C=C(/C)\C=C\C23C(CC(O2)CC3(C)O)(C)C)/C)/C |
| Defined Bond Stereocenter Count | 9.0 |
| Taxonomy Direct Parent | Xanthophylls |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cucurbita Maxima (Plant) Rel Props:Source_db:fooddb_chem_all