IngredientID 65512
(3R,5S,6R,8R,11R,12S,13S)-3-(FURAN-3-YL)-5-METHYL-2,9,14-TRIOXAPENTACYCLO[11.2.1.1,(1)(1).0(1),.0,(1)(2)]HEPTADECANE-10,15-DIONE
C19H20O6
Relationship Network
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Herb: 1Ingredient: 1Target: 2Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65512
- Core Entity Id
- 128161
- Source Entity Count
- 1
- Preferred Name
- (3R,5S,6R,8R,11R,12S,13S)-3-(FURAN-3-YL)-5-METHYL-2,9,14-TRIOXAPENTACYCLO[11.2.1.1,(1)(1).0(1),.0,(1)(2)]HEPTADECANE-10,15-DIONE
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C19H20O6
- Molecular Weight
- 344.1300
- 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
(3R,5S,6R,8R,11R,12S,13S)-3-(FURAN-3-YL)-5-METHYL-2,9,14-TRIOXAPENTACYCLO[11.2.1.1,(1)(1).0(1),.0,(1)(2)]HEPTADECANE-10,15-DIONE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(3R,5S,6R,8R,11R,12S,13S)-3-(FURAN-3-YL)-5-METHYL-2,9,14-TRIOXAPENTACYCLO[11.2.1.1,(1)(1).0(1),.0,(1)(2)]HEPTADECANE-10,15-DIONE
Itcmdb Generated
ITX-INGREDIENT-0E3A7CDD1EBB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
344.130
Molecular Formula
C19H20O6
Fda Maximum Daily Dose (Fdamdd)
0.918
Quantitative Estimate Of Drug Likeness（Qed）
0.728