Structure

Procyanidin B3

CAS
23567-23-9
Catalog Number
ACM23567239
Category
Inhibitors
Molecular Weight
578.52
Molecular Formula
C30H26O12

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Specification

Description
Procyanidin B3 is a natural product, acts as a specific HAT inhibitor, binds to the other site of p300 instead of the active site, selectively inhibits p300-mediated androgen receptor acetylation. Procyanidin B3 has no effect on HDAC or HMT (histone methyltransferase).
Synonyms
PROCYANIDIN B3;CATECHIN-(4ALPHA->8)-CATECHIN;CATECHIN-(4ALPHA->8)-CATECHIN B3;procyanidin B3 from barley;(2R,2R,3S,3S,4S)-2,2-Bis(3,4-dihydroxyphenyl)-4,8-bichroman-3,3,5,5,7,7-hexol;(2R,2R,3S,3S,4α)-3,3,4,4-Tetrahydro-2α,2α-bis(3,4-dihydroxyphenyl)-4,8-bi[2H-1-benzopyran]-3,3,5,5,7,7-hexol;3,3,4,4-Tetrahydro-2α,2α-bis(3,4-dihydroxyphenyl)-4α,8-bi[2H-1-benzopyran]-3β,3β,5,5,7,7-hexol;(2R,2R,3S,3S,4S)-2,2-Bis(3,4-dihydroxyphenyl)-3,3,4,4-tetrahydro-[4,8-bi-2H-1-benzopyran]-3,3,5,5,7,7-hexol
Canonical SMILES
O[C@@H]1[C@@H](C2=CC=C(O)C(O)=C2)OC3=CC(O)=CC(O)=C3[C@H]1C4=C5C(C[C@H](O)[C@@H](C6=CC=C(O)C(O)=C6)O5)=C(O)C=C4O
Melting Point
218-219°C
Density
1.705
Appearance
Solid
Storage
Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Hazard Statements
Xi
Safety Description
26-36
Shipping
Can be shipped at room temperature, where not in use may vary.
Source
Plantsother families
What is the molecular formula of Procyanidin B3?

The molecular formula of Procyanidin B3 is C30H26O12.

Where can Procyanidin B3 be found?

Procyanidin B3 can be found in red wine, barley, beer, peach, and Jatropha macrantha.

What is the role of Procyanidin B3?

Procyanidin B3 has a role as a metabolite, an antioxidant, an anti-inflammatory agent, and an EC 2.3.1.48 (histone acetyltransferase) inhibitor.

What is the InChIKey of Procyanidin B3?

The InChIKey of Procyanidin B3 is XFZJEEAOWLFHDH-AVFWISQGSA-N.

What is the CAS number of Procyanidin B3?

The CAS number of Procyanidin B3 is 23567-23-9.

How many hydrogen bond donor counts does Procyanidin B3 have?

Procyanidin B3 has 10 hydrogen bond donor counts.

What is the exact mass of Procyanidin B3?

The exact mass of Procyanidin B3 is 578.14242626 g/mol.

What is the ChEMBL ID of Procyanidin B3?

The ChEMBL ID of Procyanidin B3 is CHEMBL501490.

Which natural products is Procyanidin B3 found in?

Procyanidin B3 is a natural product found in Quercus dentata, Quercus miyagii, and other organisms with available data.

What is the XLogP3-AA value of Procyanidin B3?

The XLogP3-AA value of Procyanidin B3 is 2.4.

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