IngredientID 65556
(4E,6E,12E)-1-acetoxy-3-(2-methylbutyryloxy)tetradeca-4,6,12-trien-8,10-diyn-14-ol
C21H26O5
Relationship Network
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Ingredient: 1Target: 1Links: 2
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65556
- Core Entity Id
- 128205
- Source Entity Count
- 1
- Preferred Name
- (4E,6E,12E)-1-acetoxy-3-(2-methylbutyryloxy)tetradeca-4,6,12-trien-8,10-diyn-14-ol
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C21H26O5
- Molecular Weight
- 358.1800
- 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
(4E,6E,12E)-1-acetoxy-3-(2-methylbutyryloxy)tetradeca-4,6,12-trien-8,10-diyn-14-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(4E,6E,12E)-1-acetoxy-3-(2-methylbutyryloxy)tetradeca-4,6,12-trien-8,10-diyn-14-ol
Itcmdb Generated
ITX-INGREDIENT-0208DE63FE8B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
358.180
Molecular Formula
C21H26O5
Fda Maximum Daily Dose (Fdamdd)
0.040
Quantitative Estimate Of Drug Likeness（Qed）
0.390