Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2236
- Core Entity Id
- 5673
- Source Entity Count
- 1
- Preferred Name
- 2-methyl-n-phenylmaleimide
- Name En
- Pubchem Id
- 689222
- Smiles Canonical
- CC1=CC(=O)N(C1=O)C2=CC=CC=C2
- Molecular Formula
- C11H9NO2
- Molecular Weight
- 187.1980
- Inchikey
- QAVUFFJVZGZJMO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7H,1H3
- Isomeric Smiles
- CC1=CC(=O)N(C1=O)C2=CC=CC=C2
- Cas Id
- 1963-36-6
- Ob Score
- 87.3610
- Mol Logp
- 1.5061
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methyl-N-Phenylmaleimide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Methyl-N-Phenylmaleimide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Methyl-N-phenylmaleimide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-Methyl-N-phenylmaleimide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-methyl-n-phenylmaleimide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyl-n-phenylmaleimide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1h-pyrrole-2,5-dione, 3-methyl-1-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1h-pyrrole-2,5-dione, 3-methyl-1-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylphenylmaleimide
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Methylphenylmaleimide
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methyl-1-phenyl-1H-pyrrole-2,5-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methyl-1-phenyl-1H-pyrrole-2,5-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methyl-1-phenyl-3-pyrroline-2,5-quinone
Role
alias
Source
TCMBank
Preferred
No
Name
3-methyl-1-phenylpyrrole-2,5-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methyl-1-phenylpyrrole-2,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
3-methyl-1-phenylpyrrole-2,5-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
3120-04-5
Role
alias
Source
HERB_v2
Preferred
No
Name
3120-04-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
337765_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
A0177/0007996
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL567621
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL567621
Role
alias
Source
itcmdb_public
Preferred
No
Name
EU-0050672
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL774452
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL774452
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC00058465
Role
alias
Source
TCMBank
Preferred
No
Name
n-phenyl-2-methylmaleimide
Role
alias
Source
HERB_v2
Preferred
No
Name
n-phenyl-2-methylmaleimide
Role
alias
Source
itcmdb_public
Preferred
No
Name
starbld0001226
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0001226
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1h-pyrrole-2,5-dione, 3-methyl-1-phenyl-3-Methylphenylmaleimide3-methyl-1-phenyl-1H-pyrrole-2,5-dione3-methyl-1-phenyl-3-pyrroline-2,5-quinone3-methyl-1-phenylpyrrole-2,5-dione3120-04-5337765_ALDRICHA0177/0007996CHEMBL567621EU-0050672SCHEMBL774452ZINC00058465n-phenyl-2-methylmaleimidestarbld0001226
Cross References
Trusted external identifiers retained for this final record.
Cas
1963-36-6
Herb
HBIN006077
Tcmsp
MOL010552
Sym Map
SMIT11582
Pub Chem
689222
Tcmbank
TCMBANKIN005986
Etcm Ingredient
2-Methyl-N-phenylmaleimide
Itcmdb Generated
ITX-INGREDIENT-3A34A4E4A98F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-7H,1H3
Mol Wt
187.198
Cas Id
1963-36-6
Smiles
CC1=CC(=O)N(C1=O)C2=CC=CC=C2
Mol Log P
1.5061
Version
v1,v2
In Ch Ikey
QAVUFFJVZGZJMO-UHFFFAOYSA-N
Ob Score
87.36187.36148387.36148345
Suppress
0
Num Hdonors
0
Drug Likeness
0.625
Num Hacceptors
2
Isomeric Smiles
CC1=CC(=O)N(C1=O)C2=CC=CC=C2
Molecule Weight
187.21
Canonical Smiles
CC1=CC(=O)N(C1=O)C2=CC=CC=C2
Herb Alias Names
3120-04-53-methyl-1-phenyl-1H-pyrrole-2,5-dione3-methyl-1-phenylpyrrole-2,5-dione1h-pyrrole-2,5-dione, 3-methyl-1-phenyl-n-phenyl-2-methylmaleimide3-Methylphenylmaleimidestarbld0001226SCHEMBL774452CHEMBL567621
Molecular Weight
187.060
Molecular Weight
162.19
Molecular Formula
C11H9NO2
Molecular Formula
C10H10O2
Molecular Formula
C11H9NO2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.046
Quantitative Estimate Of Drug Likeness（Qed）
0.625