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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27951
- Core Entity Id
- 34254
- Source Entity Count
- 1
- Preferred Name
- Northalifoline(tautomericstructure 1)
- Name En
- Pubchem Id
- 10262007
- Smiles Canonical
- COC1=C(C=C2C(=C1)CCNC2=O)O
- Molecular Formula
- C10H11NO3
- Molecular Weight
- 193.2020
- Inchikey
- HSLDNQNDHKZKNZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H11NO3/c1-14-9-4-6-2-3-11-10(13)7(6)5-8(9)12/h4-5,12H,2-3H2,1H3,(H,11,13)
- Isomeric Smiles
- COC1=C(C=C2C(=C1)CCNC2=O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6867
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Northalifoline (tautomeric structure 1)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Northalifoline(tautomericstructure 1)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Northalifoline(tautomericstructure 1)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
northalifoline(tautomericstructure 1)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,4-Dihydro-7-hydroxy-6-methoxy-1(2H)-isoquinolinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4-Dihydro-7-hydroxy-6-methoxy-1(2H)-isoquinolinone
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:182551
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:182551
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Northalifoline (tautomeric structure 1)3,4-Dihydro-7-hydroxy-6-methoxy-1(2H)-isoquinolinone7-hydroxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-oneCHEBI:182551
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037392
Tcmid
15793
Pub Chem
10262007
Tcmbank
TCMBANKIN025067
Etcm Ingredient
Northalifoline (tautomeric structure 1)
Itcmdb Generated
ITX-INGREDIENT-6A9DB5484E3D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H11NO3/c1-14-9-4-6-2-3-11-10(13)7(6)5-8(9)12/h4-5,12H,2-3H2,1H3,(H,11,13)
Mol Wt
193.202
Smiles
COC1=C(C=C2C(=C1)CCNC2=O)O
Mol Log P
0.6866999999999999
In Ch Ikey
HSLDNQNDHKZKNZ-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.689
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=C2C(=C1)CCNC2=O)O
Canonical Smiles
COC1=C(C=C2C(=C1)CCNC2=O)O
Herb Alias Names
3,4-Dihydro-7-hydroxy-6-methoxy-1(2H)-isoquinolinone7-hydroxy-6-methoxy-3,4-dihydro-2H-isoquinolin-1-oneCHEBI:182551
Molecular Weight
193.070
Molecular Formula
C10H11NO3
Molecular Formula
C10H11NO3
Molecular Formula
C10H11NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.611
Quantitative Estimate Of Drug Likeness（Qed）
0.689