(13Z)-beta-Carotene
| Internal ID | 9627cac0-c800-457a-a6ed-a2518ed3d6a5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Carotenes |
| IUPAC Name | 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene |
| SMILES (Canonical) | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C |
| SMILES (Isomeric) | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)/C)/C |
| InChI | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17-,32-18+,33-21+,34-22+ |
| InChI Key | OENHQHLEOONYIE-MZMZTKINSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C40H56 |
| Molecular Weight | 536.90 g/mol |
| Exact Mass | 536.438201786 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 13.50 |
| 13-cis-beta-Carotene |
| 6811-73-0 |
| Neo-beta-carotene B |
| 8BK6YA62H6 |
| 1,3,3-Trimethyl-2-((1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaen-1-yl)cyclohexene |
| 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene |
| 2,2'-((1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(1,3,3-trimethylcyclohex-1-ene) |
| beta-Carotene, (13Z)- |
| Pseudo-alpha-carotene |
| beta-Carotene, neo b- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 95.27% | 91.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.01% | 91.11% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 94.77% | 95.00% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 94.33% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.07% | 89.63% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.13% | 94.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.99% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.67% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.07% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.65% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.18% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.11% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.70% | 91.79% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Diospyros kaki |
| Prunus persica |
| Psidium guajava |
| Zea mays |
| PubChem | 10256668 |
| LOTUS | LTS0168447 |
| wikiData | Q27270144 |