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(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
(Q82096678)
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From Wikidata
chemical compound
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English
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
chemical compound
Statements
instance of
type of chemical entity
0 references
subclass of
2-(3,4-dihydroxyphenyl)-8-[(4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
1 reference
based on heuristic
inferred from SMILES
mass
578.142426272
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S,2'S,3S,3'S,4S)-3,3',4,4'-Tetrahydro-2beta,2'beta-bis(3,4-dihydroxyphenyl)-4alpha,8'-bi[2H-1-benzopyran]-3beta,3'beta,5,5',7,7'-hexol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2S,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(-)-epicatechin-(4alpha->8)-(-)-epicatechin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2S,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(+)-procyanidin B2
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Catechin-(4alpha-8)-ent-epicatechin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(-)-procyanidin B4
1 reference
based on heuristic
inferred from InChI
(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2S,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
1 reference
based on heuristic
inferred from InChI
procyanidin B3
1 reference
based on heuristic
inferred from InChI
procyanidin B1
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₂₆O₁₂
0 references
canonical SMILES
OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC=C(O)C(O)=C6)C(O)C5)C1
0 references
isomeric SMILES
C1[C@@H]([C@@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
0 references
found in taxon
Vitis vinifera
1 reference
stated in
Proanthocyanidin Dimers and Trimers from Vitis vinifera Provide Diverse Structural Motifs for the Evaluation of Dentin Biomodification
Cassia fistula
1 reference
stated in
Four new compounds from the seeds of Cassia fistula
Identifiers
InChI
InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29+/m0/s1
0 references
InChIKey
XFZJEEAOWLFHDH-DQPHOHOGSA-N
0 references
CAS Registry Number
82262-99-5
1 reference
InChIKey
XFZJEEAOWLFHDH-DQPHOHOGSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=82262-99-5
PubChem CID
442677
1 reference
matched by identifier from
InChIKey
InChIKey
XFZJEEAOWLFHDH-DQPHOHOGSA-N
UniChem compound ID
1073205
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00331902
1 reference
matched by identifier from
InChIKey
InChIKey
XFZJEEAOWLFHDH-DQPHOHOGSA-N
DSSTOX compound identifier
DTXCID10282996
0 references
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(2S,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol
(Q82096678)
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