(10S)-1,3,8,10-tetrahydroxy-6-methyl-2,4,5-tris(3-methylbut-2-enyl)-10H-anthracen-9-one

Details

• Internal ID: 52e702f9-fe91-4dce-b2ba-cbe5437b1f5e
• Taxonomy: Benzenoids > Anthracenes
• IUPAC Name: (10S)-1,3,8,10-tetrahydroxy-6-methyl-2,4,5-tris(3-methylbut-2-enyl)-10H-anthracen-9-one
• InChI: InChI=1S/C30H36O5/c1-15(2)8-11-19-18(7)14-22(31)25-23(19)29(34)24-20(12-9-16(3)4)27(32)21(13-10-17(5)6)28(33)26(24)30(25)35/h8-10,14,29,31-34H,11-13H2,1-7H3/t29-/m0/s1
• InChI Key: HAPSTBPDRQRBSO-LJAQVGFWSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₃₆O₅
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.25627424 g/mol
• Topological Polar Surface Area (TPSA): 98.00 Ų
• XlogP: 7.90

Synonyms

There are no found synonyms.

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	98.25%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.03%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	93.27%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.57%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.34%	89.00%
CHEMBL1951	P21397	Monoamine oxidase A	85.07%	91.49%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.86%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.78%	94.45%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	83.16%	89.34%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.78%	97.21%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	82.31%	93.40%
CHEMBL1937	Q92769	Histone deacetylase 2	81.38%	94.75%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.02%	90.71%

Plants that contains it

• Harungana madagascariensis

Cross-Links

• PubChem: 162912637
• LOTUS: LTS0071125
• wikiData: Q105024990