5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-carotene-3,3'-diol
PubChem CID: 131752074
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| Compound Synonyms | 5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-carotene-3,3'-diol |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 44.0 |
| Description | Isolated from Viola tricolor, Lonicera japonica, Delonix regia and other plants. Auroxanthin is found in many foods, some of which are yellow bell pepper, orange bell pepper, green bell pepper, and red bell pepper. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1270.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2Z,4Z,6E,8Z,10E,12E,14Z)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 9.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H56O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YLUSVJDFTAATNS-CDQXKQFZSA-N |
| Fcsp3 | 0.55 |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Synonyms | 5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-carotene-3,3'-diol |
| Compound Name | 5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-carotene-3,3'-diol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 600.418 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 600.418 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 600.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 7.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -8.7200808 |
| Inchi | InChI=1S/C40H56O4/c1-27(17-13-19-29(3)33-21-35-37(5,6)23-31(41)25-39(35,9)43-33)15-11-12-16-28(2)18-14-20-30(4)34-22-36-38(7,8)24-32(42)26-40(36,10)44-34/h11-22,31-34,41-42H,23-26H2,1-10H3/b12-11-,17-13-,18-14+,27-15+,28-16+,29-19-,30-20- |
| Smiles | C/C(=C\C=C/C=C(\C)/C=C\C=C(\C)/C1C=C2C(CC(CC2(O1)C)O)(C)C)/C=C/C=C(/C)\C3C=C4C(CC(CC4(O3)C)O)(C)C |
| Defined Bond Stereocenter Count | 7.0 |
| Taxonomy Direct Parent | Tetraterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all