Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 5Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27714
- Core Entity Id
- 33986
- Source Entity Count
- 1
- Preferred Name
- N-methylcorydaldine
- Name En
- Pubchem Id
- 303906
- Smiles Canonical
- CN1CCC2=CC(=C(C=C2C1=O)OC)OC
- Molecular Formula
- C12H15NO3
- Molecular Weight
- 221.2560
- Inchikey
- BDIZBBGNYDRCCA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h6-7H,4-5H2,1-3H3
- Isomeric Smiles
- CN1CCC2=CC(=C(C=C2C1=O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.3319
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-Methylcorydaldine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-Methylcorydaldine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-methylcorydaldine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-methylcorydaldine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
莲叶桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIAN YE TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lotusleaftung
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-Dimethoxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-Dimethoxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinone
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6514-05-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
6514-05-2
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:67411
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67411
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL504722
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL504722
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS001049023
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS001049023
Role
alias
Source
HERB_v2
Preferred
No
Name
TNP00337
Role
alias
Source
itcmdb_public
Preferred
No
Name
TNP00337
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
莲叶桐LIAN YE TONGLotusleaftung2-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-one6,7-Dimethoxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinone6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one6514-05-2CHEBI:67411CHEMBL504722MLS001049023TNP00337
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037074HBIN037075
Npass
NPC119669
Tcmid
1424437865
Pub Chem
303906
Tcmbank
TCMBANKIN043625TCMBANKIN061322
Etcm Ingredient
N-Methylcorydaldine
Itcmdb Generated
ITX-INGREDIENT-1D0851725EA4ITX-INGREDIENT-33145488453E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h6-7H,4-5H2,1-3H3
Mol Wt
221.2559999999999
Smiles
CN1CCC2=CC(=C(C=C2C1=O)OC)OC
Mol Log P
1.3319
In Ch Ikey
BDIZBBGNYDRCCA-UHFFFAOYSA-N
Tcm Name
莲叶桐
Tcm Name2
LIAN YE TONG
Mol2 Path
/TCM_database/2007_3d_all/14251.mol2
Reference
1521, 3792
Num Hdonors
0
Tcm Name En
Lotusleaftung
Drug Likeness
0.756
Num Hacceptors
3
Isomeric Smiles
CN1CCC2=CC(=C(C=C2C1=O)OC)OC
Canonical Smiles
CN1CCC2=CC(=C(C=C2C1=O)OC)OC
Herb Alias Names
6514-05-26,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-oneCHEMBL5047226,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1(2H)-one2-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-oneCHEBI:674116,7-Dimethoxy-2-methyl-3,4-dihydro-1(2H)-isoquinolinoneTNP00337MLS001049023
Molecular Weight
221.110
Molecular Weight
221.25 g/mol
Molecular Formula
C12H15NO3
Molecular Formula
C12H15NO3
Molecular Formula
C12H15NO3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.132
Quantitative Estimate Of Drug Likeness（Qed）
0.756