dendrillolide A

Details

• Internal ID: 753f86c0-7f41-4e4a-924c-181ea07a3cd7
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: (2R,3R,3aR,6aR)-3-[(1R,3aR,8aS)-1,4,4-trimethyl-8-methylidene-3,3a,5,6,7,8a-hexahydro-2H-azulen-1-yl]-2-hydroxy-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
• SMILES (Canonical): CC1(CCCC(=C)C2C1CCC2(C)C3C4CC(=O)OC4OC3O)C
• SMILES (Isomeric): C[C@]1(CC[C@@H]2[C@H]1C(=C)CCCC2(C)C)[C@H]3[C@H]4CC(=O)O[C@H]4O[C@H]3O
• InChI: InChI=1S/C20H30O4/c1-11-6-5-8-19(2,3)13-7-9-20(4,15(11)13)16-12-10-14(21)23-18(12)24-17(16)22/h12-13,15-18,22H,1,5-10H2,2-4H3/t12-,13-,15-,16+,17-,18+,20-/m1/s1
• InChI Key: MQCRZIHSAFOQTA-XWJPXQAFSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.40 g/mol
• Exact Mass: 334.21440943 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 4.20

Synonyms

• CHEMBL515163

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

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	93.85%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	92.17%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.87%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.21%	95.56%
CHEMBL2581	P07339	Cathepsin D	89.67%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.44%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.90%	99.23%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.33%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.32%	89.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.45%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.23%	94.45%
CHEMBL237	P41145	Kappa opioid receptor	83.13%	98.10%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.59%	86.33%
CHEMBL1871	P10275	Androgen Receptor	81.95%	96.43%
CHEMBL1951	P21397	Monoamine oxidase A	81.29%	91.49%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	81.24%	93.04%
CHEMBL1902	P62942	FK506-binding protein 1A	81.18%	97.05%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.02%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44584609
• LOTUS: LTS0232295
• wikiData: Q104396202