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
- 7359
- Core Entity Id
- 11362
- Source Entity Count
- 1
- Preferred Name
- 6,7_dimethoxy_2_methylisocarbostyril
- Name En
- Pubchem Id
- 11367984
- Smiles Canonical
- CN1C=CC2=CC(=C(C=C2C1=O)OC)OC
- Molecular Formula
- C12H13NO3
- Molecular Weight
- 219.2400
- Inchikey
- HCHLTWGUUUDWFP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H13NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h4-7H,1-3H3
- Isomeric Smiles
- CN1C=CC2=CC(=C(C=C2C1=O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.5557
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,7_dimethoxy_2_methylisocarbostyril
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6,7_dimethoxy_2_methylisocarbostyril
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,7_dimethoxy_2_methylisocarbostyril
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-OXO-2-METHYL-6,7-DIMETHOXY-1,2-DIHYDROISOQUINOLINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-OXO-2-METHYL-6,7-DIMETHOXY-1,2-DIHYDROISOQUINOLINE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-oxo-6,7-dimethoxy-2-methyl-1,2-dihydroisoquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-oxo-6,7-dimethoxy-2-methyl-1,2-dihydroisoquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
20323-75-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
20323-75-5
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-Dimethoxy-2-methylisoquinolin-1(2H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-Dimethoxy-2-methylisoquinolin-1(2H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-dimethoxy-2-methyl-1(2H)-isoquinolinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-dimethoxy-2-methyl-1(2H)-isoquinolinone
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-dimethoxy-2-methylisoquinolin-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-dimethoxy-2-methylisoquinolin-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20463739
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20463739
Role
alias
Source
itcmdb_public
Preferred
No
Name
G75125
Role
alias
Source
HERB_v2
Preferred
No
Name
G75125
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16328854
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16328854
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-OXO-2-METHYL-6,7-DIMETHOXY-1,2-DIHYDROISOQUINOLINE1-oxo-6,7-dimethoxy-2-methyl-1,2-dihydroisoquinoline20323-75-56,7-Dimethoxy-2-methylisoquinolin-1(2H)-one6,7-dimethoxy-2-methyl-1(2H)-isoquinolinone6,7-dimethoxy-2-methylisoquinolin-1-oneDTXSID20463739G75125SCHEMBL16328854
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012078
Npass
NPC279533
Tcmid
41093
Pub Chem
11367984
Tcmbank
TCMBANKIN018743
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H13NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h4-7H,1-3H3
Mol Wt
219.24
Smiles
CN1C=CC2=CC(=C(C=C2C1=O)OC)OC
Mol Log P
1.5557
In Ch Ikey
HCHLTWGUUUDWFP-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.769
Num Hacceptors
4
Isomeric Smiles
CN1C=CC2=CC(=C(C=C2C1=O)OC)OC
Canonical Smiles
CN1C=CC2=CC(=C(C=C2C1=O)OC)OC
Herb Alias Names
20323-75-56,7-Dimethoxy-2-methylisoquinolin-1(2H)-one6,7-dimethoxy-2-methylisoquinolin-1-one1-OXO-2-METHYL-6,7-DIMETHOXY-1,2-DIHYDROISOQUINOLINE6,7-dimethoxy-2-methyl-1(2H)-isoquinolinoneSCHEMBL16328854DTXSID20463739G751251(2H)-Isoquinolinone, 6,7-dimethoxy-2-methyl-1-oxo-6,7-dimethoxy-2-methyl-1,2-dihydroisoquinoline
Molecular Formula
C12H13NO3
Molecular Formula
C12H13NO3
Num Rotatable Bonds
2