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Chemistry

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Also known as: 84929-27-1, (2r,3s,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2h-chromene-3,5,7-triol, Grape seed p.e., Grape,red, ext., Ccg-270162, As-83774
Molecular Formula
C32H30O11
Molecular Weight
590.6  g/mol
InChI Key
VWKAFYWVDIOMSL-PMFFMQSYSA-N

Grape Seed Extract
Exudate from seeds of the grape plant Vitis vinifera, composed of oils and secondary plant metabolites (BIOFLAVONOIDS and polyphenols) credited with important medicinal properties.
1 2D Structure

Grape Seed Extract

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
2.1.2 InChI
InChI=1S/C32H30O11/c1-13-7-22(38)26(30-17(13)12-32(2,41)31(43-30)15-4-6-19(35)21(37)9-15)27-25-23(39)10-16(33)11-24(25)42-29(28(27)40)14-3-5-18(34)20(36)8-14/h3-11,27-29,31,33-41H,12H2,1-2H3/t27-,28-,29+,31+,32+/m0/s1
2.1.3 InChI Key
VWKAFYWVDIOMSL-PMFFMQSYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C2=C1CC(C(O2)C3=CC(=C(C=C3)O)O)(C)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
2.1.5 Isomeric SMILES
CC1=CC(=C(C2=C1C[C@@]([C@H](O2)C3=CC(=C(C=C3)O)O)(C)O)[C@H]4[C@@H]([C@H](OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Extract, Grape Seed

2. Seed Extract, Grape

2.2.2 Depositor-Supplied Synonyms

1. 84929-27-1

2. (2r,3s,4s)-2-(3,4-dihydroxyphenyl)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2h-chromene-3,5,7-triol

3. Grape Seed P.e.

4. Grape,red, Ext.

5. Ccg-270162

6. As-83774

2.3 Create Date
2014-10-15
3 Chemical and Physical Properties
Molecular Weight 590.6 g/mol
Molecular Formula C32H30O11
XLogP33.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass590.17881177 g/mol
Monoisotopic Mass590.17881177 g/mol
Topological Polar Surface Area201 Ų
Heavy Atom Count43
Formal Charge0
Complexity970
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antineoplastic Agents, Phytogenic

Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)


Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)


API Reference Price

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[{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1724351400,"product":"GRAPE SEED EXTRACT","address":"40,MANGALDAS BLDG NO.1,","city":"MUMBAI ,MAHARASHTRA","supplier":"HUBEI YIDA HBMH TRADING CO., LTD","supplierCountry":"CHINA","foreign_port":"BEIJING","customer":"TRADE IMPEX INTERNATIONAL","customerCountry":"INDIA","quantity":"150.00","actualQuantity":"150","unit":"KGS","unitRateFc":"58","totalValueFC":"9486.5","currency":"USD","unitRateINR":"5304.8","date":"23-Aug-2024","totalValueINR":"795712.7","totalValueInUsd":"9486.5","indian_port":"Bombay Air","hs_no":"29420090","bill_no":"5196565","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"BEIJING","supplierAddress":"NO.4-2405,186 XING HUA ROAD, FUXINGGARDEN JIANGHAN AREA, WUHAN, HUBEISDNF CHINA","customerAddress":"40,MANGALDAS BLDG NO.1,"}]
23-Aug-2024
23-Aug-2024
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