Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66686
- Core Entity Id
- 129335
- Source Entity Count
- 1
- Preferred Name
- 1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene
- Name En
- Pubchem Id
- 521380
- Smiles Canonical
- CC1=CCC2C(C1)C(CC=C2C)C(C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.1900
- Inchikey
- USDOQCCMRDNVAH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0000
- 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
1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene
Itcmdb Generated
ITX-INGREDIENT-99FD0B25E5FA
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
204.190
Molecular Formula
C15H24
Fda Maximum Daily Dose (Fdamdd)
0.054
Quantitative Estimate Of Drug Likeness（Qed）
0.548