(3R,3aR,5aS,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,13,13b-dodecahydrocyclopenta[a]chrysene
Internal ID | 83affba4-86fd-43d3-b5ab-1883a52c02d0 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | (3R,3aR,5aS,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,13,13b-dodecahydrocyclopenta[a]chrysene |
SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CC=C4C3=CCC5C4(CCCC5(C)C)C)C)C)C |
SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4C3=CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C |
InChI | InChI=1S/C30H48/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h11,14,20-21,24-25H,9-10,12-13,15-19H2,1-8H3/t21-,24+,25-,27-,28-,29-,30+/m1/s1 |
InChI Key | PTWDXFXWKUNEOH-CXJLZJCISA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H48 |
Molecular Weight | 408.70 g/mol |
Exact Mass | 408.375601531 g/mol |
Topological Polar Surface Area (TPSA) | 0.00 Ų |
XlogP | 9.90 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.71% | 97.25% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.93% | 96.38% |
CHEMBL2581 | P07339 | Cathepsin D | 93.95% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.42% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.85% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.22% | 95.89% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.62% | 82.69% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.83% | 100.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.21% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.93% | 97.09% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.48% | 93.56% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.42% | 90.24% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.38% | 99.18% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.30% | 97.14% |
CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 80.04% | 93.10% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.02% | 94.75% |
CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 80.00% | 96.31% |
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.
Adiantum capillus-veneris |
Adiantum caudatum |
Adiantum pedatum |
Alsophila podophylla |
PubChem | 13857712 |
LOTUS | LTS0084825 |
wikiData | Q105214927 |