IngredientID 65467
(2S,3S,4R,8E)-2-[(2'R)-2'-hydroxy-pentadecamido]-heptadecyl-1,3,4-trihydroxy-8-ene
C42H83NO5
Relationship Network
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Herb: 1Ingredient: 1Target: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65467
- Core Entity Id
- 128116
- Source Entity Count
- 1
- Preferred Name
- (2S,3S,4R,8E)-2-[(2'R)-2'-hydroxy-pentadecamido]-heptadecyl-1,3,4-trihydroxy-8-ene
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C42H83NO5
- Molecular Weight
- 681.6300
- 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
(2S,3S,4R,8E)-2-[(2'R)-2'-hydroxy-pentadecamido]-heptadecyl-1,3,4-trihydroxy-8-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(2S,3S,4R,8E)-2-[(2'R)-2'-hydroxy-pentadecamido]-heptadecyl-1,3,4-trihydroxy-8-ene
Itcmdb Generated
ITX-INGREDIENT-1533D19310E1
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
681.630
Molecular Formula
C42H83NO5
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.033