Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 7Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33095
- Core Entity Id
- 39978
- Source Entity Count
- 1
- Preferred Name
- Senkirkine
- Name En
- Pubchem Id
- 101286192
- Smiles Canonical
- CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C
- Molecular Formula
- C19H27NO6
- Molecular Weight
- 365.4260
- Inchikey
- HPDHKHMHQGCNPE-QLJRNOHWSA-N
- Inchi
- InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1
- Isomeric Smiles
- C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C
- Cas Id
- 2318-18-5
- Ob Score
- 56.1560
- Mol Logp
- 1.0095
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Senkirkine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Senkirkine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Senkirkine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Senkirkine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
senkirkine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2318-18-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2318-18-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 557
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 557
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-89945
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-89945
Role
alias
Source
itcmdb_public
Preferred
No
Name
Renardin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Renardin
Role
alias
Source
HERB_v2
Preferred
No
Name
Renardine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Renardine
Role
alias
Source
HERB_v2
Preferred
No
Name
SENKIRKIN
Role
alias
Source
HERB_v2
Preferred
No
Name
SENKIRKIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
Senkarkane
Role
alias
Source
HERB_v2
Preferred
No
Name
Senkarkane
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-X65P7V4LVJ
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-X65P7V4LVJ
Role
alias
Source
itcmdb_public
Preferred
No
Name
X65P7V4LVJ
Role
alias
Source
HERB_v2
Preferred
No
Name
X65P7V4LVJ
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2318-18-5CCRIS 557NSC-89945RenardinRenardineSENKIRKINSenkarkaneUNII-X65P7V4LVJX65P7V4LVJ
Cross References
Trusted external identifiers retained for this final record.
Cas
2318-18-5
Herb
HBIN043722
Npass
NPC73418
Tcmid
19716
Tcmsp
MOL010023
Sym Map
SMIT11101
Tcm Id
20671
Pub Chem
1012861921020049362597335281752536385363051776442498
Tcmbank
TCMBANKIN004431
Etcm Ingredient
Senkirkine
Itcmdb Generated
ITX-INGREDIENT-1E5289D1F286
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1
Mol Wt
365.4260000000001
Cas Id
2318-18-5
Smiles
CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C
Mol Log P
1.0095
Version
v1,v2
In Ch Ikey
HPDHKHMHQGCNPE-QLJRNOHWSA-N
Ob Score
56.15656.1564958456.156496
Suppress
0
Num Hdonors
1
Drug Likeness
0.506
Num Hacceptors
7
Isomeric Smiles
C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C
Molecule Weight
365.47
Canonical Smiles
CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)O)C
Herb Alias Names
SENKIRKINRenardin2318-18-5UNII-X65P7V4LVJX65P7V4LVJNSC-89945RenardineSenkarkaneCCRIS 557
Molecular Weight
365.180
Molecular Weight
365.42
Molecular Formula
C19H27NO6
Molecular Formula
C19H27NO6
Molecular Formula
C19H27NO6
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.885
Quantitative Estimate Of Drug Likeness（Qed）
0.506