Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 13Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15291
- Core Entity Id
- 20162
- Source Entity Count
- 1
- Preferred Name
- Corypalline
- Name En
- Pubchem Id
- 280225
- Smiles Canonical
- CN1CCC2=CC(=C(C=C2C1)O)OC
- Molecular Formula
- C11H15NO2
- Molecular Weight
- 193.2460
- Inchikey
- FELOSQQXIHRUSH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
- Isomeric Smiles
- CN1CCC2=CC(=C(C=C2C1)O)OC
- Cas Id
- 450-14-6
- Ob Score
- 51.4980
- Mol Logp
- 1.3887
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Corypalline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Corypalline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Corypalline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Corypalline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Corypalline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Corypalline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
金黄堇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN HUANG JIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Golden Corydalis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
450-14-6
Role
alias
Source
HERB_v2
Preferred
No
Name
450-14-6
Role
alias
Source
TCMBank
Preferred
No
Name
450-14-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Role
alias
Source
TCMBank
Preferred
No
Name
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50006640
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50006640
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL593001
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL593001
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60299630
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60299630
Role
alias
Source
HERB_v2
Preferred
No
Name
FELOSQQXIHRUSH-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
FELOSQQXIHRUSH-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC131674
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC131674
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC131674
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL20683185
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL20683185
Role
alias
Source
HERB_v2
Preferred
No
Name
corypalline
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
金黄堇JIN HUANG JINGolden Corydalis450-14-66-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-olBDBM50006640CHEMBL593001DTXSID60299630FELOSQQXIHRUSH-UHFFFAOYSA-NNSC131674SCHEMBL20683185
Cross References
Trusted external identifiers retained for this final record.
Cas
450-14-6
Herb
HBIN021579
Npass
NPC131204
Tcmid
4121
Tcmsp
MOL012913
Sym Map
SMIT13635
Pub Chem
280225
Tcmbank
TCMBANKIN037392
Etcm Ingredient
Corypalline
Itcmdb Generated
ITX-INGREDIENT-2217C961E42D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
Mol Wt
193.246
Cas Id
450-14-6
Mol Log P
1.3887
Version
v1,v2
In Ch Ikey
FELOSQQXIHRUSH-UHFFFAOYSA-N
Ob Score
51.4979569751.49795751.498
Suppress
0
Tcm Name
金黄堇
Tcm Name2
JIN HUANG JIN
Mol2 Path
/TCM_database/2007_3d_all/04121.mol2
Reference
1521
Num Hdonors
1
Tcm Name En
Golden Corydalis
Drug Likeness
0.731
Num Hacceptors
3
Isomeric Smiles
CN1CCC2=CC(=C(C=C2C1)O)OC
Molecule Weight
193.27
Canonical Smiles
CN1CCC2=CC(=C(C=C2C1)O)OC
Herb Alias Names
450-14-66-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-olCHEMBL593001NSC131674SCHEMBL20683185DTXSID60299630FELOSQQXIHRUSH-UHFFFAOYSA-NBDBM50006640
Molecular Weight
193.110
Molecular Weight
193.24
Molecular Formula
C11H15NO2
Molecular Formula
C11H15NO2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.613
Quantitative Estimate Of Drug Likeness（Qed）
0.731