4,6,12-Trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-one

Details

• Internal ID: dba9b85b-9820-4a5f-a7d9-9f3337a61069
• Taxonomy: Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
• IUPAC Name: 4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-one
• InChI: InChI=1S/C28H20O7/c29-15-5-1-13(2-6-15)23-24-19(9-17(31)11-21(24)33)26-25-20(27(23)34)10-18(32)12-22(25)35-28(26)14-3-7-16(30)8-4-14/h1-12,23,26,28-33H
• InChI Key: HAOBFGJVNNUEGD-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₂₀O₇
• Molecular Weight: 468.50 g/mol
• Exact Mass: 468.12090297 g/mol
• Topological Polar Surface Area (TPSA): 127.00 Ų
• XlogP: 4.30

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	98.04%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.10%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	92.66%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.30%	89.00%
CHEMBL2581	P07339	Cathepsin D	91.72%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.56%	97.09%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.94%	93.40%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.23%	99.23%
CHEMBL3194	P02766	Transthyretin	85.45%	90.71%
CHEMBL4530	P00488	Coagulation factor XIII	85.18%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.90%	96.09%
CHEMBL1951	P21397	Monoamine oxidase A	83.70%	91.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.02%	86.33%

Plants that contains it

• Vatica pauciflora

Cross-Links

• PubChem: 73804292
• LOTUS: LTS0077538
• wikiData: Q105024955