Tereticornate-A

Details

• Internal ID: a9103826-79ba-4407-a8be-33ca52a7dec2
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: (4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl) 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• InChI: InChI=1S/C40H54O6/c1-24-13-19-39-22-21-38(7)37(6)18-14-29-35(3,4)31(45-32(42)12-10-26-9-11-27(41)28(23-26)44-8)16-17-36(29,5)30(37)15-20-40(38,46-34(39)43)33(39)25(24)2/h9-12,15,20,23-25,29-31,33,41H,13-14,16-19,21-22H2,1-8H3
• InChI Key: IOGXUTZMCFOAOS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₀H₅₄O₆
• Molecular Weight: 630.90 g/mol
• Exact Mass: 630.39203944 g/mol
• Topological Polar Surface Area (TPSA): 82.10 Ų
• XlogP: 9.40

Synonyms

• 149751-81-5
• TERETICORNATE-A

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	99.69%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	97.01%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.43%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.70%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.17%	89.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	91.99%	92.94%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.89%	94.45%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	90.49%	85.30%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	90.01%	97.14%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.17%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.02%	97.09%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	86.58%	91.07%
CHEMBL3194	P02766	Transthyretin	86.43%	90.71%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	86.29%	92.62%
CHEMBL1902	P62942	FK506-binding protein 1A	83.99%	97.05%
CHEMBL2535	P11166	Glucose transporter	81.46%	98.75%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.82%	100.00%
CHEMBL3922	P50579	Methionine aminopeptidase 2	80.63%	97.28%
CHEMBL2413	P32246	C-C chemokine receptor type 1	80.47%	89.50%
CHEMBL2581	P07339	Cathepsin D	80.46%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.18%	99.15%

Plants that contains it

• Eucalyptus tereticornis

Cross-Links

• PubChem: 155885862
• LOTUS: LTS0121455
• wikiData: Q105116647