Hippolide B

Details

• Internal ID: 1ebd9c76-464f-4a19-a8f1-ff893248cd51
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
• IUPAC Name: (3S)-3-[(2R,6S)-6-methoxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]pyrrolidine-2,5-dione
• SMILES (Canonical): CC(=CCCC(=CCCC(=CCCC1=CCC(OC1OC)C2CC(=O)NC2=O)C)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/CC/C(=C/CCC1=CC[C@@H](O[C@@H]1OC)[C@@H]2CC(=O)NC2=O)/C)/C)C
• InChI: InChI=1S/C26H39NO4/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21-15-16-23(31-26(21)30-5)22-17-24(28)27-25(22)29/h9,11,13,15,22-23,26H,6-8,10,12,14,16-17H2,1-5H3,(H,27,28,29)/b19-11+,20-13+/t22-,23+,26-/m0/s1
• InChI Key: JCZZVHJOSFEULF-UTNVMCOPSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₉NO₄
• Molecular Weight: 429.60 g/mol
• Exact Mass: 429.28790873 g/mol
• Topological Polar Surface Area (TPSA): 64.60 Ų
• XlogP: 5.10

Synonyms

• CHEMBL1784622
• CHEBI:67733
• BDBM50345576
• Q27136207

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	99.37%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	98.66%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.28%	96.09%
CHEMBL255	P29275	Adenosine A2b receptor	95.47%	98.59%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.22%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.22%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.93%	97.09%
CHEMBL3401	O75469	Pregnane X receptor	92.91%	94.73%
CHEMBL2581	P07339	Cathepsin D	92.68%	98.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	90.53%	89.34%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.32%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.80%	100.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	84.62%	92.94%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.50%	86.33%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	82.56%	92.88%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.53%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	80.84%	94.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.73%	94.00%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	80.53%	96.00%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	80.35%	92.08%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 53262773
• LOTUS: LTS0212313
• wikiData: Q27136207