Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65822
- Core Entity Id
- 128471
- Source Entity Count
- 1
- Preferred Name
- (Z)-3,7-dimethyl-1,3,6-octatriene
- Name En
- Pubchem Id
- 5320250
- Smiles Canonical
- CC(=CCC=C(C)C=C)C
- Molecular Formula
- C10H16
- Molecular Weight
- 136.1300
- Inchikey
- IHPKGUQCSIINRJ-NTMALXAHSA-N
- Inchi
- InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8-
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.3000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Z)-3,7-dimethyl-1,3,6-octatriene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(Z)-3,7-dimethyl-1,3,6-octatriene
Itcmdb Generated
ITX-INGREDIENT-C168B82A7A9E
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
136.130
Molecular Formula
C10H16
Fda Maximum Daily Dose (Fdamdd)
0.549
Quantitative Estimate Of Drug Likeness（Qed）
0.411