Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32389
- Core Entity Id
- 39191
- Source Entity Count
- 1
- Preferred Name
- Salsoline
- Name En
- Pubchem Id
- 46695
- Smiles Canonical
- CC1C2=CC(=C(C=C2CCN1)O)OC
- Molecular Formula
- C11H15NO2
- Molecular Weight
- 193.2460
- Inchikey
- YTPRLBGPGZHUPD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
- Isomeric Smiles
- CC1C2=CC(=C(C=C2CCN1)O)OC
- Cas Id
- 89-31-6
- 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
Salsoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Salsoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Salsoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
salsoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+,-)-Salsoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+,-)-Salsoline
Role
alias
Source
HERB_v2
Preferred
No
Name
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
76419-97-1
Role
alias
Source
HERB_v2
Preferred
No
Name
76419-97-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
SpecPlus_000614
Role
alias
Source
itcmdb_public
Preferred
No
Name
SpecPlus_000614
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum2_000540
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum2_000540
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum3_001113
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum3_001113
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum4_001951
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum4_001951
Role
alias
Source
itcmdb_public
Preferred
No
Name
Spectrum_001463
Role
alias
Source
HERB_v2
Preferred
No
Name
Spectrum_001463
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+,-)-Salsoline7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol76419-97-1SpecPlus_000614Spectrum2_000540Spectrum3_001113Spectrum4_001951Spectrum_001463
Cross References
Trusted external identifiers retained for this final record.
Cas
89-31-6
Herb
HBIN042878
Tcmid
19181
Tcm Id
129423828
Pub Chem
46695
Tcmbank
TCMBANKIN016456
Etcm Ingredient
Salsoline
Itcmdb Generated
ITX-INGREDIENT-3E5C27469A54
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
Mol Wt
193.246
Cas Id
89-31-6
Smiles
CC1C2=CC(=C(C=C2CCN1)O)OC
Mol Log P
1.607499999999999
In Ch Ikey
YTPRLBGPGZHUPD-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.712
Num Hacceptors
3
Isomeric Smiles
CC1C2=CC(=C(C=C2CCN1)O)OC
Canonical Smiles
CC1C2=CC(=C(C=C2CCN1)O)OC
Herb Alias Names
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol76419-97-17-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-6-ol(+,-)-SalsolineSpectrum_001463SpecPlus_000614Spectrum2_000540Spectrum3_001113Spectrum4_001951
Molecular Weight
193.110
Molecular Weight
193.24
Molecular Formula
C11H15NO2
Molecular Formula
C11H15NO2
Molecular Formula
C11H15NO2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.972
Quantitative Estimate Of Drug Likeness（Qed）
0.712