Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72894
- Core Entity Id
- 135543
- Source Entity Count
- 1
- Preferred Name
- Itaconic anhydride
- Name En
- Pubchem Id
- 75110
- Smiles Canonical
- C=C1CC(=O)OC1=O
- Molecular Formula
- C5H4O3
- Molecular Weight
- 112.0200
- Inchikey
- OFNISBHGPNMTMS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.2000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 43.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Itaconic anhydride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Itaconic anhydride
Itcmdb Generated
ITX-INGREDIENT-1B490FC99A2D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
112.020
Molecular Formula
C5H4O3
Fda Maximum Daily Dose (Fdamdd)
0.441
Quantitative Estimate Of Drug Likeness（Qed）
0.327