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
- 66154
- Core Entity Id
- 128803
- Source Entity Count
- 1
- Preferred Name
- 1,5-dimethyltetralin
- Name En
- Pubchem Id
- 89516
- Smiles Canonical
- CC1CCCC2=C(C=CC=C12)C
- Molecular Formula
- C12H16
- Molecular Weight
- 160.1300
- Inchikey
- BMADLDGHUBLVMQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H16/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3,5,8,10H,4,6-7H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0000
- 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
1,5-dimethyltetralin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,5-dimethyltetralin
Itcmdb Generated
ITX-INGREDIENT-9C8801DD3730
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
160.130
Molecular Formula
C12H16
Fda Maximum Daily Dose (Fdamdd)
0.341
Quantitative Estimate Of Drug Likeness（Qed）
0.545