Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67992
- Core Entity Id
- 130641
- Source Entity Count
- 1
- Preferred Name
- 3-butyl-3a,4,5,6-tetrahydro-
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C12H18O2
- Molecular Weight
- 194.1300
- 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
3-butyl-3a,4,5,6-tetrahydro-
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-butyl-3a,4,5,6-tetrahydro-
Itcmdb Generated
ITX-INGREDIENT-7813DB5E8FFC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
194.130
Molecular Formula
C12H18O2
Fda Maximum Daily Dose (Fdamdd)
0.900
Quantitative Estimate Of Drug Likeness（Qed）
0.646