Cinchonain-Ib (Q5120191)

inferred from SMILES

chemical structure

Cinchonain Ib.svg
512 × 545; 33 KB

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mass

452.11073222 dalton

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2 references

inferred from InChIKey

9,10-Dihydro-10-(3,4-dihydroxyphenyl)-pyrano[2,3-h]catechin-8-one

2 references

inferred from InChIKey

(2S,3S,10R)-2,10-bis(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one

1 reference

(4S)-4beta,6alpha-Bis(3,4-dihydroxyphenyl)-7beta,9-dihydroxy-2,3,4,6,7,8-hexahydro-1,5-dioxaphenanthrene-2-one

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chemical formula

C₂₄H₂₀O₉

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PubChem

canonical SMILES

O=C1OC2=CC(O)=C3C(OC(C4=CC=C(O)C(O)=C4)C(O)C3)=C2C(C5=CC=C(O)C(O)=C5)C1

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isomeric SMILES

O=C5Oc3c(c2O[C@H](c1ccc(O)c(O)c1)[C@H](O)Cc2c(O)c3)[C@H](c4ccc(O)c(O)c4)C5

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Antioxidant phenylpropanoid-substituted epicatechins from Trichilia catigua

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Phenylpropanoid substituted flavan-3-ols from Trichilia catigua and their in vitro antioxidative activity

Antioxidant phenylpropanoid-substituted epicatechins from Trichilia catigua

Anemopaegma arvense

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Flavan-3-ol-phenylpropanoid conjugates from Anemopaegma arvense and their antioxidant activities

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Phyllocladus trichomanoides

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Phenylpropanoid derivatives of catechin, epicatechin and phylloflavan from Phyllocladus trichomanoides

Rhizophora stylosa

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Antioxidative flavan-3-ol glycosides from stems of Rhizophora stylosa

Smilax china

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Phenylpropanoid-Substituted Catechins and Epicatechins fromSmilax china

Sarsaparilla (Smilax Glabra Rhizome) Extract Inhibits Cancer Cell Growth by S Phase Arrest, Apoptosis, and Autophagy via Redox-Dependent ERK1/2 Pathway.

Smilax corbularia

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Estrogenic and anti-estrogenic compounds from the Thai medicinal plant, Smilax corbularia (Smilacaceae).

Eriobotrya japonica

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Cinchonain Ib isolated from Eriobotrya japonica induces insulin secretion in vitro and in vivo.

Castanopsis hystrix

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Phenylpropanoid-substituted catechins from Castanopsis hystrix and structure revision of cinchonains

Identifiers

InChI

InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1

1 reference

PubChem

2 references

PubChem

ChEBI release 2020-09-01

CAS Registry Number

85022-69-1

1 reference

English Wikipedia

ChemSpider ID

8631931

1 reference

English Wikipedia

PubChem CID

442675

2 references

English Wikipedia

ChEBI ID

3702

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19-,23-/m1/s1

ChEMBL ID

CHEMBL401058

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

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DSSTOX compound identifier

DTXCID50282995

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UNII

XAW49PG8E7

1 reference