Artoindonesianin T

Details

• Internal ID: ad48fd39-cd9f-494e-b3f9-8b72a46265d9
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones
• IUPAC Name: 1,4,8,10-tetrahydroxy-3-methoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one
• SMILES (Canonical): CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=CC(=CC(=C4C2=O)O)O
• SMILES (Isomeric): CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=CC(=CC(=C4C2=O)O)O
• InChI: InChI=1S/C21H18O7/c1-8(2)10-6-11-19(25)17-12(23)4-9(22)5-14(17)28-21(11)18-13(24)7-15(27-3)20(26)16(10)18/h4-5,7,10,22-24,26H,1,6H2,2-3H3
• InChI Key: PACGEOWZLGJTSP-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₁₈O₇
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.10525291 g/mol
• Topological Polar Surface Area (TPSA): 116.00 Ų
• XlogP: 3.80

Synonyms

• CHEBI:185706
• LMPK12111536
• 1,4,8,10-tetrahydroxy-3-methoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one

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	99.75%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	97.55%	91.49%
CHEMBL1806	P11388	DNA topoisomerase II alpha	95.07%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.03%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.00%	96.09%
CHEMBL2581	P07339	Cathepsin D	92.26%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.45%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.16%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.59%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.42%	99.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.87%	85.14%
CHEMBL3194	P02766	Transthyretin	86.86%	90.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.76%	99.23%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	85.93%	95.64%
CHEMBL2002	P12268	Inosine-5'-monophosphate dehydrogenase 2	85.53%	98.21%
CHEMBL241	Q14432	Phosphodiesterase 3A	85.22%	92.94%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.13%	95.89%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	84.93%	92.62%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	82.33%	98.11%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.83%	90.71%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	81.36%	96.21%
CHEMBL340	P08684	Cytochrome P450 3A4	81.17%	91.19%

Plants that contains it

• Artocarpus integer

Cross-Links

• PubChem: 5320451
• LOTUS: LTS0069999
• wikiData: Q105204370