Karatavikin

Details

• Internal ID: 040a87cd-e307-495e-8068-a1ae9ef844a6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: 7-[(2E,6E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6-dienoxy]chromen-2-one
• InChI: InChI=1S/C24H30O5/c1-17(8-12-22(25)24(3,4)27)6-5-7-18(2)14-15-28-20-11-9-19-10-13-23(26)29-21(19)16-20/h6,9-11,13-14,16,27H,5,7-8,12,15H2,1-4H3/b17-6+,18-14+
• InChI Key: AEFSLEXCTRWIIO-ZCSZAFQUSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₃₀O₅
• Molecular Weight: 398.50 g/mol
• Exact Mass: 398.20932405 g/mol
• Topological Polar Surface Area (TPSA): 72.80 Ų
• XlogP: 4.70

Synonyms

• SR-01000519795
• SR-01000519795-1

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
CHEMBL2039	P27338	Monoamine oxidase B	99.35%	92.51%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.44%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.46%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	95.84%	94.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.82%	94.00%
CHEMBL2581	P07339	Cathepsin D	92.52%	98.95%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	90.85%	92.08%
CHEMBL4208	P20618	Proteasome component C5	88.77%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.16%	86.33%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	84.28%	83.57%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.64%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.33%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.84%	89.00%

Plants that contains it

• Ferula karatavica

Cross-Links

• PubChem: 1799234
• LOTUS: LTS0083075
• wikiData: Q104910053