Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67475
- Core Entity Id
- 130124
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxy-2-isopropylsuccinic acid
- Name En
- Pubchem Id
- 77
- Smiles Canonical
- CC(C)C(CC(=O)O)(C(=O)O)O
- Molecular Formula
- C7H12O5
- Molecular Weight
- 176.0700
- Inchikey
- BITYXLXUCSKTJS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.2000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 94.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-hydroxy-2-isopropylsuccinic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-hydroxy-2-isopropylsuccinic acid
Itcmdb Generated
ITX-INGREDIENT-4197CAED5095
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
176.070
Molecular Formula
C7H12O5
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.557