IngredientID 65279
(1S,5Ｒ,7Ｒ,10Ｒ)-secoatractylolactone11-O-β-D-glucopyranoside
C21H34O10
Relationship Network
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Ingredient: 1Target: 4Links: 8
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65279
- Core Entity Id
- 127928
- Source Entity Count
- 1
- Preferred Name
- (1S,5Ｒ,7Ｒ,10Ｒ)-secoatractylolactone11-O-β-D-glucopyranoside
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C21H34O10
- Molecular Weight
- 446.2200
- 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
(1S,5Ｒ,7Ｒ,10Ｒ)-secoatractylolactone11-O-β-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(1S,5Ｒ,7Ｒ,10Ｒ)-secoatractylolactone11-O-β-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-7459C27824C7
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
446.220
Molecular Formula
C21H34O10
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.316