Viniferol D

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	aef20ac4-fc23-47b7-87dc-a7b884080faa
Taxonomy	Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name	2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
SMILES (Canonical)	C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O
SMILES (Isomeric)	C1=CC(=CC=C1C2C(C3C(C4=C(C=C(C=C4O)O)C5C(OC6=C5C3=C2C(=C6)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O
InChI	InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H
InChI Key	QDEHKEFWCRAFDN-UHFFFAOYSA-N
Popularity	1 reference in papers

Physical and Chemical Properties

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Molecular Formula	C₄₂H₃₂O₉
Molecular Weight	680.70 g/mol
Exact Mass	680.20463259 g/mol
Topological Polar Surface Area (TPSA)	171.00 Å²
XlogP	6.80

Synonyms

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ampelopsin C

130518-20-6

2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol

(+)-Viniferol D

(+)-Ampelopsin C

DTXSID20926773

CID 71307315

B0005-145678

4-(3,5-Dihydroxyphenyl)-3,5,10-tris(4-hydroxyphenyl)-3,4,4a,5,9b,10-hexahydro-11-oxabenzo[5,6]cyclohepta[1,2,3,4-jkl]-as-indacene-2,6,8-triol

Benz(5,6)azuleno(7,8,1-cde)benzofuran-2,6,8-triol, 4-(3,5-dihydroxyphenyl)-3,4,4a,5,9b,10-hexahydro-3,5,10-tris(4-hydroxyphenyl)-,(3alpha,4bbeta,4abeta,5alpha,9balpha,10alpha)-(+)-

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
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	97.71%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.37%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.31%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.92%	99.15%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	86.82%	93.40%
CHEMBL3401	O75469	Pregnane X receptor	84.51%	94.73%
CHEMBL2581	P07339	Cathepsin D	83.77%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.03%	97.09%
CHEMBL3194	P02766	Transthyretin	80.85%	90.71%
CHEMBL301	P24941	Cyclin-dependent kinase 2	80.71%	91.23%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.

Ampelopsis glandulosa var. brevipedunculata