Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33111
- Core Entity Id
- 39997
- Source Entity Count
- 1
- Preferred Name
- Sennoside
- Name En
- Pubchem Id
- 101973350
- Smiles Canonical
- C1=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
- Molecular Formula
- C42H38O20
- Molecular Weight
- 862.7460
- Inchikey
- IPQVTOJGNYVQEO-JLDSCGAUSA-N
- Inchi
- 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
- Isomeric Smiles
- C1=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(C2C5C6=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
- Cas Id
- Ob Score
- Mol Logp
- -1.0956
- Num H Donors
- 12
- Num H Acceptors
- 18
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.0950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sennoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sennoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sennoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sennoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sennoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sennoside
Role
preferred
Source
TCMBank
Preferred
Yes
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-, (R*,R*)-
Role
alias
Source
TCMBank
Preferred
No
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-, (R*,R*)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
135S582
Role
alias
Source
TCMBank
Preferred
No
Name
135S582
Role
alias
Source
SymMap_v2
Preferred
No
Name
5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-9,9'-bianthracene-2,2'-dicarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
5,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-9,9'-bianthracene-2,2'-dicarboxylic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
517-43-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
517-43-1
Role
alias
Source
TCMBank
Preferred
No
Name
66575-30-2
Role
alias
Source
TCMBank
Preferred
No
Name
66575-30-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
66575-30-2
Role
alias
Source
HERB_v2
Preferred
No
Name
66575-30-2
Role
alias
Source
SymMap_v2
Preferred
No
Name
73613-07-7
Role
alias
Source
SymMap_v2
Preferred
No
Name
73613-07-7
Role
alias
Source
TCMBank
Preferred
No
Name
9-[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
itcmdb_public
Preferred
No
Name
9-[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
SymMap_v2
Preferred
No
Name
9-[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
HERB_v2
Preferred
No
Name
9-[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
No
Name
9-[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-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
9-[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-carboxylic acid
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1LCVKW
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1LCVKW
Role
alias
Source
TCMBank
Preferred
No
Name
C13940
Role
alias
Source
SymMap_v2
Preferred
No
Name
C13940
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:34974
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:34974
Role
alias
Source
SymMap_v2
Preferred
No
Name
D02171
Role
alias
Source
SymMap_v2
Preferred
No
Name
D02171
Role
alias
Source
TCMBank
Preferred
No
Name
IPQVTOJGNYVQEO-JLDSCGAUSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
IPQVTOJGNYVQEO-JLDSCGAUSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
Pursennid (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Pursennid (TN)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pursennid (TN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Pursennid (TN)
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL11140501
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL11140501
Role
alias
Source
SymMap_v2
Preferred
No
Name
Senna-lax
Role
alias
Source
HERB_v2
Preferred
No
Name
Senna-lax
Role
alias
Source
TCMBank
Preferred
No
Name
Senna-lax
Role
alias
Source
itcmdb_public
Preferred
No
Name
Senna-lax
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sennoside (JAN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sennoside (JAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Sennoside (JAN)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sennoside (JAN)
Role
alias
Source
HERB_v2
Preferred
No
Name
Sennoside A&B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sennoside A&B
Role
alias
Source
HERB_v2
Preferred
No
Name
Sennoside A1
Role
alias
Source
HERB_v2
Preferred
No
Name
Sennoside A1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sennoside G
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sennoside G
Role
alias
Source
HERB_v2
Preferred
No
Name
Sennoside G
Role
alias
Source
TCMBank
Preferred
No
Name
Sennoside G
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sennosides
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sennosides
Role
alias
Source
TCMBank
Preferred
No
Name
Sennosides (USP)
Role
alias
Source
HERB_v2
Preferred
No
Name
Sennosides (USP)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sennosides (USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Sennosides (USP)
Role
alias
Source
itcmdb_public
Preferred
No
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
SymMap_v2
Preferred
No
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
TCMBank
Preferred
No
Name
[9,9'-Bianthracene]-2,2'-dicarboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-
Role
alias
Source
TCMBank
Preferred
No
Name
[9,9'-Bianthracene]-2,2'-dicarboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-
Role
alias
Source
SymMap_v2
Preferred
No
Name
sennoside
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sennoside A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sennoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sennoside a
Role
preferred
Source
TCMBank
Preferred
Yes
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-, (R*,R*)- (VAN) (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
(9R)-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
No
Name
(9R)-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
No
Name
(9R)-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
No
Name
(9R)-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
No
Name
(9R,9'R)-4,4'-DIHYDROXY-10,10'-DIOXO-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-5'-{[(3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-9H,9'H-[9,9'-BIANTHRACENE]-2,2'-DICARBOXYLIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
(9R,9'R)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
8013-11-4
Role
alias
Source
TCMBank
Preferred
No
Name
81-27-6
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon0_001464
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM53380
Role
alias
Source
TCMBank
Preferred
No
Name
Black Draught
Role
alias
Source
HERB_v2
Preferred
No
Name
C10404
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1362935
Role
alias
Source
TCMBank
Preferred
No
Name
CS0023
Role
alias
Source
TCMBank
Preferred
No
Name
Dosaflex
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 201-339-9
Role
alias
Source
TCMBank
Preferred
No
Name
Gentlax
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS2234C24
Role
alias
Source
TCMBank
Preferred
No
Name
LMPK02000045
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_001902
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001332477
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001332478
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002207024
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 112929
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL14477483
Role
alias
Source
TCMBank
Preferred
No
Name
SMP1_000271
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000857110
Role
alias
Source
TCMBank
Preferred
No
Name
Senna (powdered)
Role
alias
Source
TCMBank
Preferred
No
Name
Sennalax
Role
alias
Source
HERB_v2
Preferred
No
Name
Sennoside A, United States Pharmacopeia (USP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Sennoside A, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
Sennoside A, primary pharmaceutical reference standard
Role
alias
Source
TCMBank
Preferred
No
Name
Senokot
Role
alias
Source
HERB_v2
Preferred
No
Name
Senolax
Role
alias
Source
HERB_v2
Preferred
No
Name
cid_16218404
Role
alias
Source
TCMBank
Preferred
No
Name
Senna Glycosides A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)-135S5825,5'-Bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-9,9'-bianthracene-2,2'-dicarboxylic acid5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid517-43-166575-30-273613-07-79-[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 acid9-[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-carboxylic acidAC1LCVKWC13940CHEBI:34974D02171IPQVTOJGNYVQEO-JLDSCGAUSA-NPursennid (TN)SCHEMBL11140501Senna-laxSennoside (JAN)Sennoside A&BSennoside A1Sennoside GSennosidesSennosides (USP)[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)-[9,9'-Bianthracene]-2,2'-dicarboxylicacid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-Sennoside A(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-, (R*,R*)- (VAN) (9CI)(9R)-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(9R)-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(9R)-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(9R)-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(9R,9'R)-4,4'-DIHYDROXY-10,10'-DIOXO-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-5'-{[(3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-9H,9'H-[9,9'-BIANTHRACENE]-2,2'-DICARBOXYLIC ACID(9R,9'R)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid8013-11-481-27-6ACon0_001464BDBM53380Black DraughtC10404CHEMBL1362935CS0023DosaflexEINECS 201-339-9GentlaxHMS2234C24LMPK02000045MEGxp0_001902MLS001332477MLS001332478MLS002207024NSC 112929SCHEMBL14477483SMP1_000271SMR000857110Senna (powdered)SennalaxSennoside A, United States Pharmacopeia (USP) Reference StandardSennoside A, analytical standardSennoside A, primary pharmaceutical reference standardSenokotSenolaxcid_16218404Senna Glycosides A
Cross References
Trusted external identifiers retained for this final record.
Cas
8013-11-4
Hit
C0618
Herb
HBIN043754HBIN043755
Npass
NPC76112
Tcmid
2487719734
Tcmsp
MOL002368
Sym Map
SMIT02328SMIT01616SMIT04623SMIT26761
Tcm Id
1024102323670
Pub Chem
101973350656822731115199
Tcmbank
TCMBANKIN008098TCMBANKIN000079
Etcm Ingredient
SennosideSennoside A
Itcmdb Generated
ITX-INGREDIENT-FA3B658F9BA2ITX-INGREDIENT-CE2EEC733DD4ITX-INGREDIENT-1E8AE792A9C4
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
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
862.7460000000004
Smiles
C1=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
Mol Log P
-1.0956
Version
v1,v2
In Ch Ikey
IPQVTOJGNYVQEO-JLDSCGAUSA-N
Suppress
0
Num Hdonors
12
Drug Likeness
0.095
Num Hacceptors
18
Isomeric Smiles
C1=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(C2C5C6=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
862.8
Canonical Smiles
C1=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
Sennoside GSennoside A166575-30-2Pursennid (TN)Sennosides (USP)Senna-laxSennoside A&B9-[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 acidSennoside (JAN)
Molecular Weight
862.200
Molecular Weight
862.7 g/mol
Molecule Formula
C42H38O20
Molecular Formula
C42H38O20
Molecular Formula
C42H38O20
Molecular Formula
C42H38O20
Num Rotatable Bonds
9
Link Ingredient Id
1616.0
Fda Maximum Daily Dose (Fdamdd)
0.000
Quantitative Estimate Of Drug Likeness（Qed）
0.088