IngredientID 9234

Sennoside b

C30H18O10

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Herb: 12Ingredient: 1Target: 12Links: 24

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 9234
Core Entity Id: 13430
Source Entity Count: 1
Preferred Name: Sennoside b
Name En
Pubchem Id: 10459879
Smiles Canonical: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O
Molecular Formula: C30H18O10
Molecular Weight: 538.4640
Inchikey: IPQVTOJGNYVQEO-AIFLABODSA-N
Inchi: InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+
Isomeric Smiles: C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O
Cas Id: 128-57-4
Ob Score: 27.7466
Mol Logp: -1.0956
Num H Donors: 12
Num H Acceptors: 18
Num Rotatable Bonds: 3
Drug Likeness: 0.0950
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

(9S)-9-[(9R)-2-Carboxy-4,5-Dihydroxy-10-Oxo-9H-Anthracen-9-Yl]-4,5-Dihydroxy-10-Oxo-9H-Anthracene-2-Carboxylic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(9s)-9-[(9r)-2-carboxy-4,5-dihydroxy-10-oxo-9h-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9h-anthracene-2-carboxylic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

(9s)-9-[(9r)-2-carboxy-4,5-dihydroxy-10-oxo-9h-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9h-anthracene-2-carboxylic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Sennoside B

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Sennoside B

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Sennoside b

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Sennoside b

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

sennoside B

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

尖叶番泻叶

Role

TCM_name

Source

TCMBank

Preferred

Name

JIAN YE FAN XIE YE

Role

TCM_name2

Source

TCMBank

Preferred

Name

Sharpleaf Senna Leaf

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (R*,S*)-

Role

alias

Source

itcmdb_public

Preferred

Name

(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (R*,S*)-

Role

alias

Source

HERB_v2

Preferred

Name

(9R,9'S)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(9R,9'S)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-keto-9H-anthracen-9-yl]-4,5-dihydroxy-10-keto-9H-anthracene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid

Role

alias

Source

TCMBank

Preferred

Name

(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carbo

Role

alias

Source

TCMBank

Preferred

Name

(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracene-2-c

Role

alias

Source

TCMBank

Preferred

Name

128-57-4

Role

alias

Source

TCMBank

Preferred

Name

128-57-4

Role

alias

Source

itcmdb_public

Preferred

Name

128-57-4

Role

alias

Source

HERB_v2

Preferred

Name

517-44-2

Role

alias

Source

itcmdb_public

Preferred

Name

517-44-2

Role

alias

Source

HERB_v2

Preferred

Name

AC-6076

Role

alias

Source

TCMBank

Preferred

Name

AKOS025402188

Role

alias

Source

TCMBank

Preferred

Name

C13526

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:34975

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:34975

Role

alias

Source

itcmdb_public

Preferred

Name

EINECS 204-895-0

Role

alias

Source

TCMBank

Preferred

Name

EINECS 208-239-4

Role

alias

Source

itcmdb_public

Preferred

Name

EINECS 208-239-4

Role

alias

Source

HERB_v2

Preferred

Name

F887D1637W

Role

alias

Source

itcmdb_public

Preferred

Name

F887D1637W

Role

alias

Source

HERB_v2

Preferred

Name

LMPK02000052

Role

alias

Source

TCMBank

Preferred

Name

MFCD00151528

Role

alias

Source

HERB_v2

Preferred

Name

MFCD00151528

Role

alias

Source

itcmdb_public

Preferred

Name

MLS002473001

Role

alias

Source

itcmdb_public

Preferred

Name

MLS002473001

Role

alias

Source

HERB_v2

Preferred

Name

NSC 112930

Role

alias

Source

TCMBank

Preferred

Name

NSC 658576

Role

alias

Source

HERB_v2

Preferred

Name

NSC 658576

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL19004127

Role

alias

Source

TCMBank

Preferred

Name

SMR001397106

Role

alias

Source

HERB_v2

Preferred

Name

SMR001397106

Role

alias

Source

itcmdb_public

Preferred

Name

ST075008

Role

alias

Source

TCMBank

Preferred

Name

Sennidin B

Role

alias

Source

itcmdb_public

Preferred

Name

Sennidin B

Role

alias

Source

HERB_v2

Preferred

Name

Sennidine B

Role

alias

Source

HERB_v2

Preferred

Name

Sennidine B

Role

alias

Source

itcmdb_public

Preferred

Name

SennosideB

Role

alias

Source

HERB_v2

Preferred

Name

SennosideB

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-VI631S52AW

Role

alias

Source

itcmdb_public

Preferred

Name

UNII-VI631S52AW

Role

alias

Source

HERB_v2

Preferred

Name

VI631S52AW

Role

alias

Source

HERB_v2

Preferred

Name

VI631S52AW

Role

alias

Source

itcmdb_public

Preferred

Name

[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-

Role

alias

Source

HERB_v2

Preferred

Name

[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-

Role

alias

Source

itcmdb_public

Preferred

Name

sennoside b

Role

alias

Source

TCMBank

Preferred

Name

sennidin b

Role

preferred

Source

TCMBank

Preferred

Yes

Aliases

Additional names normalized into the restored final schema.

(9S)-9-[(9R)-2-Carboxy-4,5-Dihydroxy-10-Oxo-9H-Anthracen-9-Yl]-4,5-Dihydroxy-10-Oxo-9H-Anthracene-2-Carboxylic Acid尖叶番泻叶JIAN YE FAN XIE YESharpleaf Senna Leaf(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (R*,S*)-(9R,9'S)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-9,9',10,10'-tetrahydro-[9,9'-bianthracene]-2,2'-dicarboxylic acid(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-keto-9H-anthracen-9-yl]-4,5-dihydroxy-10-keto-9H-anthracene-2-carboxylic acid(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-keto-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylic acid(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carbo(9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracene-2-c128-57-4517-44-2AC-6076AKOS025402188C13526CHEBI:34975EINECS 204-895-0EINECS 208-239-4F887D1637WLMPK02000052MFCD00151528MLS002473001NSC 112930NSC 658576SCHEMBL19004127SMR001397106ST075008Sennidin BSennidine BSennosideBUNII-VI631S52AWVI631S52AW[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (9R,9'S)-

Cross References

Trusted external identifiers retained for this final record.

Cas

128-57-4

Herb

HBIN014188HBIN043756HBIN043750

Npass

NPC129002NPC92403

Tcmid

1973219735

Tcmsp

MOL002274MOL002290

Sym Map

SMIT04549SMIT04563SMIT17678

Tcm Id

10221500615007

Pub Chem

1045987991440

Tcmbank

TCMBANKIN004714TCMBANKIN043611TCMBANKIN045797

Etcm Ingredient

sennoside B

Itcmdb Generated

ITX-INGREDIENT-452A3AA39E4B

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1

Mol Wt

538.4640000000003862.7460000000004

Cas Id

128-57-4

Smiles

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O

Mol Log P

-1.09563.958200000000001

Version

v1,v2

In Ch Ikey

IPQVTOJGNYVQEO-AIFLABODSA-NJPMRHWLJLNKRTJ-SZPZYZBQSA-N

Ob Score

27.74661427.7466144827.7473.3383.3381743.338174229

Suppress

Tcm Name

尖叶番泻叶

Tcm Name2

JIAN YE FAN XIE YE

Mol2 Path

/TCM_database/2007_3d_all/19750.mol2

Reference

660, 5501

Num Hdonors

126

Tcm Name En

Sharpleaf Senna Leaf

Drug Likeness

0.0950.223

Num Hacceptors

188

Isomeric Smiles

C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)OC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O

Molecule Weight

538.48862.8

Canonical Smiles

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)OC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O

Herb Alias Names

Sennidin B517-44-2Sennidine BUNII-VI631S52AWVI631S52AWEINECS 208-239-4NSC 658576NSC-658576(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 9,9',10,10'-tetrahydro-4,4',5,5'-tetrahydroxy-10,10'-dioxo-, (R*,S*)-

Molecular Weight

862.200

Molecular Weight

862.74

Molecular Formula

C42H38O20

Molecular Formula

C42H38O20

Molecular Formula

C30H18O10C42H38O20

Num Rotatable Bonds

Link Ingredient Id

4563.0

Fda Maximum Daily Dose (Fdamdd)

0.000

Quantitative Estimate Of Drug Likeness（Qed）

0.088