Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17850
- Core Entity Id
- 23014
- Source Entity Count
- 1
- Preferred Name
- Echinorine
- Name En
- Pubchem Id
- 442898
- Smiles Canonical
- C[N+]1=CC=C(C2=CC=CC=C21)OC
- Molecular Formula
- C11H12NO+
- Molecular Weight
- 174.2230
- Inchikey
- KPTSUNASDHGNQY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H12NO/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12/h3-8H,1-2H3/q+1
- Isomeric Smiles
- C[N+]1=CC=C(C2=CC=CC=C21)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.6729
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Echinorine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Echinorine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Echinorine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Echinorine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
XIN JIAO LAN CI TOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
18095-64-2
Role
alias
Source
HERB_v2
Preferred
No
Name
18095-64-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methoxy-1-methylquinolin-1-ium
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxy-1-methylquinolin-1-ium
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9DLQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9DLQ
Role
alias
Source
HERB_v2
Preferred
No
Name
C10665
Role
alias
Source
HERB_v2
Preferred
No
Name
C10665
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:4750
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:4750
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70939393
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70939393
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinolinium, 4-methoxy-1-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinolinium, 4-methoxy-1-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6334665
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6334665
Role
alias
Source
itcmdb_public
Preferred
No
Name
SureCN6334665
Role
alias
Source
itcmdb_public
Preferred
No
Name
SureCN6334665
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
XIN JIAO LAN CI TOU18095-64-24-methoxy-1-methylquinolin-1-iumAC1L9DLQC10665CHEBI:4750DTXSID70939393Quinolinium, 4-methoxy-1-methyl-SCHEMBL6334665SureCN6334665
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024806
Npass
NPC3193
Tcmid
6691
Pub Chem
442898
Tcmbank
TCMBANKIN049025
Etcm Ingredient
Echinorine
Itcmdb Generated
ITX-INGREDIENT-EC287EA584D0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H12NO/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12/h3-8H,1-2H3/q+1
Mol Wt
174.223
Mol Log P
1.6729
In Ch Ikey
KPTSUNASDHGNQY-UHFFFAOYSA-N
Tcm Name2
XIN JIAO LAN CI TOU
Mol2 Path
/TCM_database/2007_3d_all/06692.mol2
Reference
6, 660
Num Hdonors
0
Drug Likeness
0.599
Num Hacceptors
1
Isomeric Smiles
C[N+]1=CC=C(C2=CC=CC=C21)OC
Canonical Smiles
C[N+]1=CC=C(C2=CC=CC=C21)OC
Herb Alias Names
18095-64-24-methoxy-1-methylquinolin-1-iumQuinolinium, 4-methoxy-1-methyl-C10665AC1L9DLQSureCN6334665CHEBI:4750SCHEMBL6334665DTXSID70939393
Molecular Weight
174.090
Molecular Weight
174.22 g/mol
Molecular Formula
C11H12NO+
Molecular Formula
C11H12NO+
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.061
Quantitative Estimate Of Drug Likeness（Qed）
0.599