Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22977
- Core Entity Id
- 28727
- Source Entity Count
- 1
- Preferred Name
- Isosalsoline
- Name En
- Pubchem Id
- 46697
- Smiles Canonical
- CC1C2=CC(=C(C=C2CCN1)OC)O
- Molecular Formula
- C11H15NO2
- Molecular Weight
- 193.2460
- Inchikey
- CBMULJVNWNTWJM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H15NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
- Isomeric Smiles
- CC1C2=CC(=C(C=C2CCN1)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 1.6075
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isosalsoline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Isosalsoline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isosalsoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isosalsoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
isosalsoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
isosalsoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,2,3,4-Tetrahydro-6-methoxy-1-methyl-7-isoquinolinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,3,4-Tetrahydro-6-methoxy-1-methyl-7-isoquinolinol
Role
alias
Source
HERB_v2
Preferred
No
Name
4593-97-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
4593-97-9
Role
alias
Source
HERB_v2
Preferred
No
Name
6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hydroxy-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1196096
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1196096
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL555908
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL555908
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40963463
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40963463
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 131726
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 131726
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_046617
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_046617
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,2,3,4-Tetrahydro-6-methoxy-1-methyl-7-isoquinolinol4593-97-96-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol7-Hydroxy-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolineCHEMBL1196096CHEMBL555908DTXSID40963463NSC 131726Oprea1_046617
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031215
Npass
NPC123662
Tcmid
33115
Sym Map
SMIT24755
Pub Chem
46697
Tcmbank
TCMBANKIN033150
Etcm Ingredient
isosalsoline
Itcmdb Generated
ITX-INGREDIENT-3871552D0B9DITX-INGREDIENT-A1EA552B87ED
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H15NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
Mol Wt
193.246
Smiles
CC1C2=CC(=C(C=C2CCN1)OC)O
Mol Log P
1.607499999999999
Version
v2
In Ch Ikey
CBMULJVNWNTWJM-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.712
Num Hacceptors
3
Isomeric Smiles
CC1C2=CC(=C(C=C2CCN1)OC)O
Canonical Smiles
CC1C2=CC(=C(C=C2CCN1)OC)O
Herb Alias Names
4593-97-96-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-olNSC 1317267-Hydroxy-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline1,2,3,4-Tetrahydro-6-methoxy-1-methyl-7-isoquinolinolCHEMBL555908Oprea1_046617CHEMBL1196096DTXSID40963463
Molecular Weight
193.110
Molecular Weight
193.24 g/mol
Molecular Formula
C11H15NO2
Molecular Formula
C11H15NO2
Molecular Formula
C11H15NO2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.902
Quantitative Estimate Of Drug Likeness（Qed）
0.712