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
- 3078
- Core Entity Id
- 6610
- Source Entity Count
- 1
- Preferred Name
- 3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-carbostyril
- Name En
- Pubchem Id
- 11426211
- Smiles Canonical
- CC(=C)C(=O)CC1=C(C2=C(C(=CC=C2)OC)NC1=O)OC
- Molecular Formula
- C16H17NO4
- Molecular Weight
- 287.3150
- Inchikey
- VFWNCZFTWWFXGW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H17NO4/c1-9(2)12(18)8-11-15(21-4)10-6-5-7-13(20-3)14(10)17-16(11)19/h5-7H,1,8H2,2-4H3,(H,17,19)
- Isomeric Smiles
- CC(=C)C(=O)CC1=C(C2=C(C(=CC=C2)OC)NC1=O)OC
- Cas Id
- Ob Score
- 86.4570
- Mol Logp
- 2.2330
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(2-Keto-3-Methyl-But-3-Enyl)-4,8-Dimethoxy-Carbostyril
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-carbostyril
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-carbostyril
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-(2-keto-3-methyl-but-3-enyl)-4,8-dimethoxy-carbostyril
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4,8-dimethoxy-3-(3-methyl-2-oxo-but-3-enyl)-1H-quinolin-2-one
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4,8-dimethoxy-3-(3-methyl-2-oxo-but-3-enyl)-1H-quinolin-2-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007050
Tcmid
16190
Tcmsp
MOL008178
Sym Map
SMIT09497
Pub Chem
11426211
Tcmbank
TCMBANKIN029775
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H17NO4/c1-9(2)12(18)8-11-15(21-4)10-6-5-7-13(20-3)14(10)17-16(11)19/h5-7H,1,8H2,2-4H3,(H,17,19)
Mol Wt
287.3150000000001
Mol Log P
2.233
Version
v1,v2
In Ch Ikey
VFWNCZFTWWFXGW-UHFFFAOYSA-N
Ob Score
86.456967886.45696886.457
Suppress
0
Num Hdonors
1
Drug Likeness
0.856
Num Hacceptors
4
Isomeric Smiles
CC(=C)C(=O)CC1=C(C2=C(C(=CC=C2)OC)NC1=O)OC
Molecule Weight
287.34
Canonical Smiles
CC(=C)C(=O)CC1=C(C2=C(C(=CC=C2)OC)NC1=O)OC
Molecular Weight
287.34
Molecular Formula
C16H17NO4
Num Rotatable Bonds
5