Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65980
- Core Entity Id
- 128629
- Source Entity Count
- 1
- Preferred Name
- 1,2,3,4,5-pentamethylbenzene
- Name En
- Pubchem Id
- 12784
- Smiles Canonical
- CC1=CC(=C(C(=C1C)C)C)C
- Molecular Formula
- C11H16
- Molecular Weight
- 148.1300
- Inchikey
- BEZDDPMMPIDMGJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.6000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2,3,4,5-pentamethylbenzene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2,3,4,5-pentamethylbenzene
Itcmdb Generated
ITX-INGREDIENT-AFAF7E069ECE
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
148.130
Molecular Formula
C11H16
Fda Maximum Daily Dose (Fdamdd)
0.677
Quantitative Estimate Of Drug Likeness（Qed）
0.530