Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32367
- Core Entity Id
- 39168
- Source Entity Count
- 1
- Preferred Name
- Salicifoline
- Name En
- Pubchem Id
- 160877
- Smiles Canonical
- C[N+](C)(C)CCC1=CC(=C(C=C1)OC)O
- Molecular Formula
- C12H20NO2+
- Molecular Weight
- 210.2970
- Inchikey
- REIMFKRWHOKOHQ-UHFFFAOYSA-O
- Inchi
- InChI=1S/C12H19NO2/c1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10/h5-6,9H,7-8H2,1-4H3/p+1
- Isomeric Smiles
- C[N+](C)(C)CCC1=CC(=C(C=C1)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 1.6495
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Salicifoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Salicifoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Salicifoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Salicifoline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
salicifoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3-hydroxy-4-methoxyphenyl)-N,N,N-trimethylethan-1-aminium
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-hydroxy-4-methoxyphenyl)-N,N,N-trimethylethan-1-aminium
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3-hydroxy-4-methoxyphenyl)ethyl-trimethylazanium
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-hydroxy-4-methoxyphenyl)ethyl-trimethylazanium
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-4-methoxy-N,N,N-trimethylbenzeneethanaminium
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Hydroxy-4-methoxy-N,N,N-trimethylbenzeneethanaminium
Role
alias
Source
itcmdb_public
Preferred
No
Name
6882-07-1
Role
alias
Source
HERB_v2
Preferred
No
Name
6882-07-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040753901
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040753901
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzeneethanaminium, 3-hydroxy-4-methoxy-N,N,N-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzeneethanaminium, 3-hydroxy-4-methoxy-N,N,N-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:80899
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:80899
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID70141414
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID70141414
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20218923
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20218923
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3-hydroxy-4-methoxyphenyl)-N,N,N-trimethylethan-1-aminium2-(3-hydroxy-4-methoxyphenyl)ethyl-trimethylazanium3-Hydroxy-4-methoxy-N,N,N-trimethylbenzeneethanaminium6882-07-1AKOS040753901Benzeneethanaminium, 3-hydroxy-4-methoxy-N,N,N-trimethyl-CHEBI:80899DTXCID70141414DTXSID20218923
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042845
Npass
NPC45227
Tcmid
19168
Sym Map
SMIT26600
Tcm Id
130124696
Pub Chem
160877
Tcmbank
TCMBANKIN014893
Etcm Ingredient
Salicifoline
Itcmdb Generated
ITX-INGREDIENT-0854AAF4272CITX-INGREDIENT-0A229E87B858
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H19NO2/c1-13(2,3)8-7-10-5-6-12(15-4)11(14)9-10/h5-6,9H,7-8H2,1-4H3/p+1
Mol Wt
210.297
Smiles
C[N+](C)(C)CCC1=CC(=C(C=C1)OC)O
Mol Log P
1.6495
Version
v2
In Ch Ikey
REIMFKRWHOKOHQ-UHFFFAOYSA-O
Suppress
0
Num Hdonors
1
Drug Likeness
0.766
Num Hacceptors
2
Isomeric Smiles
C[N+](C)(C)CCC1=CC(=C(C=C1)OC)O
Canonical Smiles
C[N+](C)(C)CCC1=CC(=C(C=C1)OC)O
Herb Alias Names
6882-07-12-(3-hydroxy-4-methoxyphenyl)ethyl-trimethylazaniumBenzeneethanaminium, 3-hydroxy-4-methoxy-N,N,N-trimethyl-DTXSID202189233-Hydroxy-4-methoxy-N,N,N-trimethylbenzeneethanaminium2-(3-hydroxy-4-methoxyphenyl)-N,N,N-trimethylethan-1-aminiumCHEBI:80899DTXCID70141414AKOS040753901
Molecular Weight
210.150
Molecular Weight
210.29 g/mol
Molecular Formula
C12H20NO2+
Molecular Formula
C12H20NO2+
Molecular Formula
C12H20NO2+
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.881
Quantitative Estimate Of Drug Likeness（Qed）
0.766