CID 157009854
PubChem CID: 157009854
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| Compound Synonyms | Neochrome |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | ZVKXPPXCNUMUOR-REWZIMNXSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 6,7-Didehydro-5b,8b-epoxy-5,5b,6,8b-tetrahydro-b,b-carotene-3,3b,5b-triol, Neochrome |
| Heavy Atom Count | 44.0 |
| Compound Name | CID 157009854 |
| Description | Neochrome is a member of the class of compounds known as xanthophylls. Xanthophylls are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Neochrome is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Neochrome can be found in kiwi, which makes neochrome a potential biomarker for the consumption of this food product. A pre-release version (v0.5) was included with the system disks of the first STs. A proper version 1.0 arrived later, and was bundled with several versions of the ST. Although not officially public domain, this version was often treated as such, and was never actually sold. As a result of this, NEOchrome enjoyed a relatively high level of popularity within the ST community, even in the face of more advanced packages such as DEGAS Elite and Deluxe Paint . |
| Exact Mass | 600.418 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 600.418 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1380.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 600.9 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 7.0 |
| Inchi | InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)43)15-11-12-16-29(2)19-14-20-31(4)34-23-36-38(7,8)25-33(42)27-40(36,10)44-34/h11-21,23,32-34,41-43H,24-27H2,1-10H3/b12-11-,17-13-,19-14+,28-15+,29-16+,30-18+,31-20- |
| 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)\C=C=C3C(CC(CC3(C)O)O)(C)C |
| Xlogp | 8.4 |
| Defined Bond Stereocenter Count | 7.0 |
| Molecular Formula | C40H56O4 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Source_db:fooddb_chem_all