(Q27137646)

English

cinnamtannin D-1

chemical compound

In more languages

Statements

type of chemical entity

0 references

8C-substituted flavan

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4C-substituted flavan

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(4->8)-proanthocyanidin

0 references

864.190164 dalton

1 reference

language of work or name

Cinnamtannin D1 (English)

7 October 2016

stereoisomer of

Aescultitannin B

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

cinnamtannin b1

1 reference

based on heuristic

inferred from InChI

3,3',3'',4,4',4''-Hexahydro-2alpha,2'alpha,2''beta-tris(3,4-dihydroxyphenyl)-2,7'-epoxy-4beta,8':4'alpha,8''-ter[2H-1-benzopyran]-3alpha,3'alpha,3''beta,5,5',5'',7,7''-octol

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

3,3',3'',4,4',4''-Hexahydro-2alpha,2'alpha,2''alpha-tris(3,4-dihydroxyphenyl)-2,7'-epoxy-4beta,8':4'beta,8''-ter[2H-1-benzopyran]-3alpha,3'beta,3''alpha,5,5',5'',7,7''-octol

1 reference

based on heuristic

inferred from InChI

(1R,5S,6R,7R,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₃₆O₁₈

1 reference

language of work or name

Cinnamtannin D1 (English)

7 October 2016

canonical SMILES

C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C5C6C(C(OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O

1 reference

language of work or name

Cinnamtannin D1 (English)

7 October 2016

isomeric SMILES

C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C5[C@@H]6[C@H]([C@@](OC7=CC(=CC(=C67)O)O)(OC5=CC(=C34)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O

1 reference

language of work or name

Cinnamtannin D1 (English)

7 October 2016

Lindera umbellata

1 reference

Pharmacological Studies on Linderae umbellatae Ramus, IV*. Effects of Condensed Tannin Related Compounds on Peptic Activity and Stress-Induced Gastric Lesions in Mice

Vaccinium vitis-idaea

1 reference

Tannins and related compounds. LX. Isolation and characterization of proanthocyanidins with a doubly-linked unit from Vaccinium vitis-idaea L.

Cinnamomum cassia

1 reference

Bioactive A-type proanthocyanidins from Cinnamomum cassia

Cinnamomum burmanni

2 references

Tannins and related compounds. XXXV. Proanthocyanidins with a doubly linked unit from the root bark of Cinnamomum sieboldii Meisner.

Bioactive A-type proanthocyanidins from Cinnamomum cassia

Cinnamomum sieboldii

1 reference

Tannins and related compounds. XXXV. Proanthocyanidins with a doubly linked unit from the root bark of Cinnamomum sieboldii Meisner.

Cinnamomum philippinense

1 reference

Proanthocyanidins from the leaves of Machilus philippinensis.

Urceola laevigata

1 reference

A-Type Proanthocyanidins from the Bark of Parameria laevigata

Cinnamomum pachyphyllum

1 reference

Bioactive A-type proanthocyanidins from Cinnamomum cassia

Cinnamomum iners

1 reference

Bioactive A-type proanthocyanidins from Cinnamomum cassia

Identifiers

InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1

1 reference

language of work or name

Cinnamtannin D1 (English)

7 October 2016

BYSRPHRKESMCPO-HMQYECKYSA-N

2 references

language of work or name

Cinnamtannin D1 (English)

7 October 2016

ChEBI release 2020-09-01

CAS Registry Number

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

language of work or name

(1R,5R,6R,7S,13S,21R)-5,13-Bis(3,4-dihydroxyphenyl)-7-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.0~2,11~.0~3,8~.0~15,20~]henicosa-2, (English)

7 October 2016

2 references

language of work or name

Cinnamtannin D1 (English)

7 October 2016

matched by identifier from

BYSRPHRKESMCPO-HMQYECKYSA-N

Reaxys registry number

5375826

1 reference

language of work or name

cinnamtannin D-1 (English)

7 October 2016

mapping relation type

2 references

language of work or name

cinnamtannin D-1 (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37-,38+,39+,40+,41+,44+,45-/m0/s1

1 reference

language of work or name

CINNAMTANNIN D1 (English)

7 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID901098102

1 reference

matched by identifier from

BYSRPHRKESMCPO-HMQYECKYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BYSRPHRKESMCPO-HMQYECKYSA-N

1 reference

language of work or name

cinnamtannin D-1 (English)

7 October 2016

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