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
- 62888
- Core Entity Id
- 109906
- Source Entity Count
- 1
- Preferred Name
- 4-Isopropyltoluene
- Name En
- Pubchem Id
- 7463
- Smiles Canonical
- CC1=CC=C(C=C1)C(C)C
- Molecular Formula
- C10H14
- Molecular Weight
- 134.2200
- Inchikey
- HFPZCAJZSCWRBC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.1000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Isopropyltoluene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21534
Itcmdb Generated
ITX-INGREDIENT-51228BDDD9BB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0