Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17849
- Core Entity Id
- 23013
- Source Entity Count
- 1
- Preferred Name
- Echinopsine
- Name En
- Pubchem Id
- 6748
- Smiles Canonical
- CN1C=CC(=O)C2=CC=CC=C21
- Molecular Formula
- C10H9NO
- Molecular Weight
- 159.1880
- Inchikey
- CSJAXRKDCCWCSJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
- Isomeric Smiles
- CN1C=CC(=O)C2=CC=CC=C21
- Cas Id
- 83-54-5
- Ob Score
- Mol Logp
- 1.5385
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Echinopsine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Echinopsine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Echinopsine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Echinopsine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Echinopsine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Echinopsine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
XIN JIAO LAN CI TOU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
1-Methyl-4(1H)-quinolinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methyl-4(1H)-quinolinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methyl-4(1H)-quinolone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methyl-4(1H)-quinolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methyl-4-quinolone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Methyl-4-quinolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methyl-1,4-dihydroquinolin-4-one hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
1-methyl-1,4-dihydroquinolin-4-one hydrochloride
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-methylquinolin-4(1H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methylquinolin-4(1H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methylquinolin-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methylquinolin-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2607LC44K4
Role
alias
Source
SymMap_v2
Preferred
No
Name
2607LC44K4
Role
alias
Source
TCMBank
Preferred
No
Name
4(1H)-Quinolinone, 1-methyl-, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
4(1H)-Quinolinone, 1-methyl-, hydrochloride
Role
alias
Source
SymMap_v2
Preferred
No
Name
4(1H)-Quinolinone, 1-methyl-, hydrochloride (1:1)
Role
alias
Source
TCMBank
Preferred
No
Name
4(1H)-Quinolinone, 1-methyl-, hydrochloride (1:1)
Role
alias
Source
SymMap_v2
Preferred
No
Name
4(1H)-Quinolinone, hydrochloride
Role
alias
Source
SymMap_v2
Preferred
No
Name
4(1H)-Quinolinone, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
4(1H)-Quinolone, 1-methyl-, hydrochloride
Role
alias
Source
SymMap_v2
Preferred
No
Name
4(1H)-Quinolone, 1-methyl-, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
4(1H)-Quinolone, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
4(1H)-Quinolone, hydrochloride
Role
alias
Source
SymMap_v2
Preferred
No
Name
5800-99-7
Role
alias
Source
TCMBank
Preferred
No
Name
5800-99-7
Role
alias
Source
SymMap_v2
Preferred
No
Name
83-54-5
Role
alias
Source
HERB_v2
Preferred
No
Name
83-54-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1Q3BN7
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q3BN7
Role
alias
Source
TCMBank
Preferred
No
Name
Echinopsin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Echinopsin
Role
alias
Source
HERB_v2
Preferred
No
Name
Echinopsine hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Echinopsine hydrochloride
Role
alias
Source
SymMap_v2
Preferred
No
Name
Echinopsine hydrochloride [MI]
Role
alias
Source
SymMap_v2
Preferred
No
Name
Echinopsine hydrochloride [MI]
Role
alias
Source
TCMBank
Preferred
No
Name
KB-304162
Role
alias
Source
TCMBank
Preferred
No
Name
KB-304162
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-Methyl-4-quinolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-4-quinolone
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyl-gamma-quinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-gamma-quinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-94251
Role
alias
Source
TCMBank
Preferred
No
Name
NSC94251
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-2607LC44K4
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-2607LC44K4
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
XIN JIAO LAN CI TOU1-Methyl-4(1H)-quinolinone1-Methyl-4(1H)-quinolone1-Methyl-4-quinolone1-methyl-1,4-dihydroquinolin-4-one hydrochloride1-methylquinolin-4(1H)-one1-methylquinolin-4-one2607LC44K44(1H)-Quinolinone, 1-methyl-, hydrochloride4(1H)-Quinolinone, 1-methyl-, hydrochloride (1:1)4(1H)-Quinolinone, hydrochloride4(1H)-Quinolone, 1-methyl-, hydrochloride4(1H)-Quinolone, hydrochloride5800-99-783-54-5AC1Q3BN7EchinopsinEchinopsine hydrochlorideEchinopsine hydrochloride [MI]KB-304162N-Methyl-4-quinoloneN-Methyl-gamma-quinolineNSC-94251NSC94251UNII-2607LC44K4
Cross References
Trusted external identifiers retained for this final record.
Cas
83-54-5
Herb
HBIN024805
Npass
NPC130199
Tcmid
6690
Sym Map
SMIT01391
Tcm Id
224804696
Pub Chem
6748
Tcmbank
TCMBANKIN040128
Etcm Ingredient
Echinopsine
Itcmdb Generated
ITX-INGREDIENT-95141A132BDC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H9NO/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
Mol Wt
159.188
Cas Id
83-54-5
Mol Log P
1.5385
Version
v1,v2
In Ch Ikey
CSJAXRKDCCWCSJ-UHFFFAOYSA-N
Suppress
0
Tcm Name2
XIN JIAO LAN CI TOU
Mol2 Path
/TCM_database/2007_3d_all/06691.mol2
Reference
4, 6, 658, 660
Num Hdonors
0
Drug Likeness
0.571
Num Hacceptors
2
Isomeric Smiles
CN1C=CC(=O)C2=CC=CC=C21
Molecule Weight
159.18
Canonical Smiles
CN1C=CC(=O)C2=CC=CC=C21
Herb Alias Names
83-54-51-Methyl-4-quinolone1-methylquinolin-4-oneEchinopsin1-methylquinolin-4(1H)-oneN-Methyl-4-quinolone1-Methyl-4(1H)-quinoloneN-Methyl-gamma-quinoline1-Methyl-4(1H)-quinolinone
Molecular Weight
159.070
Molecular Weight
159.18
Molecule Formula
C10H9NO
Molecular Formula
C10H9NO
Molecular Formula
C10H9NO
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.191
Quantitative Estimate Of Drug Likeness（Qed）
0.571