Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62479
- Core Entity Id
- 109497
- Source Entity Count
- 1
- Preferred Name
- 1- Isopropyl- 2- Methylbenzene
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C10H14
- Molecular Weight
- 134.1100
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1- Isopropyl- 2- Methylbenzene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-isopropyl-2-methylbenzene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1-isopropyl-2-methylbenzene
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20175
Etcm Ingredient
1-isopropyl-2-methylbenzene
Itcmdb Generated
ITX-INGREDIENT-2B4AE539BFF6ITX-INGREDIENT-F389E2F3D680
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
134.110
Molecular Formula
C10H14
Fda Maximum Daily Dose (Fdamdd)
0.050
Quantitative Estimate Of Drug Likeness（Qed）
0.553