Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15267
- Core Entity Id
- 20135
- Source Entity Count
- 1
- Preferred Name
- Corydaldine
- Name En
- Pubchem Id
- 610097
- Smiles Canonical
- COC1=C(C=C2C(=C1)CCNC2=O)OC
- Molecular Formula
- C11H13NO3
- Molecular Weight
- 207.2290
- Inchikey
- MQKFSXLBPPCAGR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H13NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h5-6H,3-4H2,1-2H3,(H,12,13)
- Isomeric Smiles
- COC1=C(C=C2C(=C1)CCNC2=O)OC
- Cas Id
- 493-49-2
- Ob Score
- 49.3038
- Mol Logp
- 0.9897
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Corydaldine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Corydaldine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Corydaldine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Corydaldine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Corydaldine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4171CTO4KU
Role
alias
Source
HERB_v2
Preferred
No
Name
4171CTO4KU
Role
alias
Source
itcmdb_public
Preferred
No
Name
493-49-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
493-49-2
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-Dimethoxy-3,4-dihydro-1(2H)-isoquinolinone
Role
alias
Source
TCMBank
Preferred
No
Name
6,7-Dimethoxy-3,4-dihydroisoquinolin-1(2H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-Dimethoxy-3,4-dihydroisoquinolin-1(2H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6,7-dimethoxy-3,4-dihydroisocarbostyril
Role
alias
Source
TCMBank
Preferred
No
Name
Corydaldin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Corydaldin
Role
alias
Source
HERB_v2
Preferred
No
Name
Corydaldine [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Corydaldine [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
IDI1_031326
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00197021
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00197021
Role
alias
Source
itcmdb_public
Preferred
No
Name
Maybridge4_000744
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_116786
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-4171CTO4KU
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-4171CTO4KU
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC04324103
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-4171CTO4KU493-49-26,7-Dimethoxy-3,4-dihydro-1(2H)-isoquinolinone6,7-Dimethoxy-3,4-dihydroisoquinolin-1(2H)-one6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one6,7-dimethoxy-3,4-dihydroisocarbostyrilCorydaldinCorydaldine [MI]IDI1_031326MFCD00197021Maybridge4_000744Oprea1_116786UNII-4171CTO4KUZINC04324103
Cross References
Trusted external identifiers retained for this final record.
Cas
493-49-2
Herb
HBIN021540
Npass
NPC121539
Tcmid
41004101
Tcmsp
MOL002896
Sym Map
SMIT05060
Pub Chem
610097
Tcmbank
TCMBANKIN061536
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H13NO3/c1-14-9-5-7-3-4-12-11(13)8(7)6-10(9)15-2/h5-6H,3-4H2,1-2H3,(H,12,13)
Mol Wt
207.229
Cas Id
493-49-2
Smiles
COC1=C(C=C2C(=C1)CCNC2=O)OC
Mol Log P
0.9896999999999998
Version
v1,v2
In Ch Ikey
MQKFSXLBPPCAGR-UHFFFAOYSA-N
Ob Score
49.30375549.3037553849.304
Suppress
0
Num Hdonors
1
Drug Likeness
0.786
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=C2C(=C1)CCNC2=O)OC
Molecule Weight
207.25
Canonical Smiles
COC1=C(C=C2C(=C1)CCNC2=O)OC
Herb Alias Names
493-49-26,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one6,7-Dimethoxy-3,4-dihydroisoquinolin-1(2H)-oneCorydaldinCorydaldine [MI]1(2H)-Isoquinolinone, 3,4-dihydro-6,7-dimethoxy-UNII-4171CTO4KU4171CTO4KUMFCD00197021
Molecular Weight
207.23
Molecular Formula
C11H13NO3
Molecular Formula
C11H13NO3
Num Rotatable Bonds
2