Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7342
- Core Entity Id
- 11342
- Source Entity Count
- 1
- Preferred Name
- 6,7-dihydroxy-1,1-dimeth yl-1,2,3,4-tetrahydro-isoquinoline
- Name En
- Pubchem Id
- 601304
- Smiles Canonical
- CC1(C2=CC(=C(C=C2CCN1)O)O)C
- Molecular Formula
- C11H15NO2
- Molecular Weight
- 193.2460
- Inchikey
- IBDAFHGSTAPEBA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H15NO2/c1-11(2)8-6-10(14)9(13)5-7(8)3-4-12-11/h5-6,12-14H,3-4H2,1-2H3
- Isomeric Smiles
- CC1(C2=CC(=C(C=C2CCN1)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.4786
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,7-dihydroxy-1,1-dimeth yl-1,2,3,4-tetrahydro-isoquinoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,7-dihydroxy-1,1-dimeth yl-1,2,3,4-tetrahydro-isoquinoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,7-dihydroxy-1,1-dimeth yl-1,2,3,4-tetrahydro-isoquinoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,1-Dimethyl-1,2,3,4-tetrahydro-6,7-isoquinolinediol #
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1-Dimethyl-1,2,3,4-tetrahydro-6,7-isoquinolinediol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1-dimethyl-3,4-dihydro-2H-isoquinoline-6,7-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1-dimethyl-3,4-dihydro-2H-isoquinoline-6,7-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
55661-23-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
55661-23-9
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1,1-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1,1-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3303327
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3303327
Role
alias
Source
itcmdb_public
Preferred
No
Name
IBDAFHGSTAPEBA-UHFFFAOYSA-
Role
alias
Source
itcmdb_public
Preferred
No
Name
IBDAFHGSTAPEBA-UHFFFAOYSA-
Role
alias
Source
HERB_v2
Preferred
No
Name
IBDAFHGSTAPEBA-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
IBDAFHGSTAPEBA-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C11H15NO2/c1-11(2)8-6-10(14)9(13)5-7(8)3-4-12-11/h5-6,12-14H,3-4H2,1-2H3
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C11H15NO2/c1-11(2)8-6-10(14)9(13)5-7(8)3-4-12-11/h5-6,12-14H,3-4H2,1-2H3
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL11888458
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL11888458
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,1-Dimethyl-1,2,3,4-tetrahydro-6,7-isoquinolinediol #1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol1,1-dimethyl-3,4-dihydro-2H-isoquinoline-6,7-diol55661-23-96,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1,1-dimethyl-CHEMBL3303327IBDAFHGSTAPEBA-UHFFFAOYSA-IBDAFHGSTAPEBA-UHFFFAOYSA-NInChI=1/C11H15NO2/c1-11(2)8-6-10(14)9(13)5-7(8)3-4-12-11/h5-6,12-14H,3-4H2,1-2H3SCHEMBL11888458
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012058
Tcmid
5861
Pub Chem
601304
Tcmbank
TCMBANKIN001727
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H15NO2/c1-11(2)8-6-10(14)9(13)5-7(8)3-4-12-11/h5-6,12-14H,3-4H2,1-2H3
Mol Wt
193.246
Smiles
CC1(C2=CC(=C(C=C2CCN1)O)O)C
Mol Log P
1.4786
In Ch Ikey
IBDAFHGSTAPEBA-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.547
Num Hacceptors
3
Isomeric Smiles
CC1(C2=CC(=C(C=C2CCN1)O)O)C
Canonical Smiles
CC1(C2=CC(=C(C=C2CCN1)O)O)C
Herb Alias Names
1,1-Dimethyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol55661-23-91,1-dimethyl-3,4-dihydro-2H-isoquinoline-6,7-diolCHEMBL3303327SCHEMBL11888458IBDAFHGSTAPEBA-UHFFFAOYSA-6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1,1-dimethyl-IBDAFHGSTAPEBA-UHFFFAOYSA-N1,1-Dimethyl-1,2,3,4-tetrahydro-6,7-isoquinolinediol #InChI=1/C11H15NO2/c1-11(2)8-6-10(14)9(13)5-7(8)3-4-12-11/h5-6,12-14H,3-4H2,1-2H3
Molecular Weight
193.24 g/mol
Molecular Formula
C11H15NO2
Molecular Formula
C11H15NO2
Num Rotatable Bonds
0