(3R)-beta-Cryptoxanthin
PubChem CID: 182237
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| Compound Synonyms | (3R)-beta-Cryptoxanthin, (3S)-?-Cryptoxanthin, AYB44688, BCP18801, Beta-Cryptoxanthin, B-cryptoxanthin, Beta-Caroten-3-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | DMASLKHVQRHNES-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Heavy Atom Count | 41.0 |
| Compound Name | (3R)-beta-Cryptoxanthin |
| Description | Cis-cryptoxanthin 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. Cis-cryptoxanthin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-cryptoxanthin can be found in a number of food items such as green bell pepper, pepper (c. annuum), yellow bell pepper, and orange bell pepper, which makes cis-cryptoxanthin a potential biomarker for the consumption of these food products. |
| Exact Mass | 552.433 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 552.433 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1250.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 552.9 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 9.0 |
| Inchi | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3 |
| Smiles | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C |
| Xlogp | 12.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C40H56O |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all