Pulcherralpin
| Internal ID | 4117ba60-91a3-4391-a0ce-0a14eabd808f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Isocopalane and spongiane diterpenoids |
| IUPAC Name | [(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-dihydroxy-2-(2-methoxy-2-oxoethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H40O7/c1-18-20(16-24(33)36-5)22(31)17-21-25(18)26(34)27(30(35)28(2,3)14-9-15-29(21,30)4)37-23(32)13-12-19-10-7-6-8-11-19/h6-8,10-13,18,20-21,25-27,34-35H,9,14-17H2,1-5H3/b13-12+/t18-,20-,21-,25-,26+,27+,29+,30+/m0/s1 |
| InChI Key | QDVSQQYDMLUPGR-OFYFIDOVSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C30H40O7 |
| Molecular Weight | 512.60 g/mol |
| Exact Mass | 512.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 4.10 |
| 105389-29-5 |
| [(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-dihydroxy-2-(2-methoxy-2-oxoethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] (E)-3-phenylprop-2-enoate |
| CHEMBL455618 |
| 2-Phenanthreneacetic acid, tetradecahydro-8a,10-dihydroxy-1,4b,8,8-tetramethyl-3-oxo-9-((1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1R-(1alpha,2beta,4aalpha,4bbeta,8aalpha,9beta(E),10beta,10abeta))- |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.15% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.29% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.89% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.72% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.65% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.53% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 92.92% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.81% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.69% | 90.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.75% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 87.72% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.42% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.22% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.18% | 91.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.45% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.19% | 97.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.34% | 92.67% |
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.
| Caesalpinia pulcherrima |
| PubChem | 6441173 |
| LOTUS | LTS0132327 |
| wikiData | Q105218997 |