ITCMDBv1
IngredientID 7345

6,7-dihydroxy-1,1-dimethyl-n-ethyl-1,2,3,4-tetrahydroisoquinoline

C13H19NO2

Back to Browse

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
7345
Core Entity Id
11346
Source Entity Count
1
Preferred Name
6,7-dihydroxy-1,1-dimethyl-n-ethyl-1,2,3,4-tetrahydroisoquinoline
Name En
Pubchem Id
637299
Smiles Canonical
CCN1CCC2=CC(=C(C=C2C1(C)C)O)O
Molecular Formula
C13H19NO2
Molecular Weight
221.3000
Inchikey
PEZHTRGMGFXRCH-UHFFFAOYSA-N
Inchi
InChI=1S/C13H19NO2/c1-4-14-6-5-9-7-11(15)12(16)8-10(9)13(14,2)3/h7-8,15-16H,4-6H2,1-3H3
Isomeric Smiles
CCN1CCC2=CC(=C(C=C2C1(C)C)O)O
Cas Id
Ob Score
Mol Logp
2.2109
Num H Donors
2
Num H Acceptors
3
Num Rotatable Bonds
1
Drug Likeness
0.7150
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
6,7-dihydroxy-1,1-dimethyl-n-ethyl-1,2,3,4-tetrahydroisoquinoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,7-dihydroxy-1,1-dimethyl-n-ethyl-1,2,3,4-tetrahydroisoquinoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,7-dihydroxy-1,1-dimethyl-n-ethyl-1,2,3,4-tetrahydroisoquinoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(2-Hydroxy-ethyl)-1,1-dimethyl-1,2,3,4,-tetrahydro-isoquinoline-6,7-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2-Hydroxy-ethyl)-1,1-dimethyl-1,2,3,4,-tetrahydro-isoquinoline-6,7-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-ethyl-1,1-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-ethyl-1,1-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-ethyl-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-ethyl-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
556104-21-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
556104-21-3
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-Isoquinolinediol,2-ethyl-1,2,3,4-tetrahydro-1,1-dimethyl-(9ci)
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-Isoquinolinediol,2-ethyl-1,2,3,4-tetrahydro-1,1-dimethyl-(9ci)
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-isoquinolinediol, 2-ethyl-1,2,3,4-tetrahydro-1,1-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-isoquinolinediol, 2-ethyl-1,2,3,4-tetrahydro-1,1-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229025
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229025
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C13H19NO2/c1-4-14-6-5-9-7-11(15)12(16)8-10(9)13(14,2)3/h7-8,15-16H,4-6H2,1-3H
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C13H19NO2/c1-4-14-6-5-9-7-11(15)12(16)8-10(9)13(14,2)3/h7-8,15-16H,4-6H2,1-3H
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

2-(2-Hydroxy-ethyl)-1,1-dimethyl-1,2,3,4,-tetrahydro-isoquinoline-6,7-diol2-ethyl-1,1-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol2-ethyl-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diol556104-21-36,7-Isoquinolinediol,2-ethyl-1,2,3,4-tetrahydro-1,1-dimethyl-(9ci)6,7-isoquinolinediol, 2-ethyl-1,2,3,4-tetrahydro-1,1-dimethyl-CHEBI:229025InChI=1/C13H19NO2/c1-4-14-6-5-9-7-11(15)12(16)8-10(9)13(14,2)3/h7-8,15-16H,4-6H2,1-3H

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN012061
Npass
NPC255276
Tcmid
5852
Pub Chem
637299
Tcmbank
TCMBANKIN021488

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C13H19NO2/c1-4-14-6-5-9-7-11(15)12(16)8-10(9)13(14,2)3/h7-8,15-16H,4-6H2,1-3H3
Mol Wt
221.3
Smiles
CCN1CCC2=CC(=C(C=C2C1(C)C)O)O
Mol Log P
2.210900000000001
In Ch Ikey
PEZHTRGMGFXRCH-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.715
Num Hacceptors
3
Isomeric Smiles
CCN1CCC2=CC(=C(C=C2C1(C)C)O)O
Canonical Smiles
CCN1CCC2=CC(=C(C=C2C1(C)C)O)O
Herb Alias Names
556104-21-32-ethyl-1,1-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol2-ethyl-1,1-dimethyl-3,4-dihydroisoquinoline-6,7-diolCHEBI:2290256,7-isoquinolinediol, 2-ethyl-1,2,3,4-tetrahydro-1,1-dimethyl-6,7-Isoquinolinediol,2-ethyl-1,2,3,4-tetrahydro-1,1-dimethyl-(9ci)2-(2-Hydroxy-ethyl)-1,1-dimethyl-1,2,3,4,-tetrahydro-isoquinoline-6,7-diolInChI=1/C13H19NO2/c1-4-14-6-5-9-7-11(15)12(16)8-10(9)13(14,2)3/h7-8,15-16H,4-6H2,1-3H
Molecular Weight
221.29 g/mol
Molecular Formula
C13H19NO2
Molecular Formula
C13H19NO2
Num Rotatable Bonds
1