IngredientID 65402
(2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol,(-)-Dihydroclusin
C22H28O7
Relationship Network
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Herb: 2Ingredient: 1Target: 3Links: 8
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65402
- Core Entity Id
- 128051
- Source Entity Count
- 1
- Preferred Name
- (2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol,(-)-Dihydroclusin
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C22H28O7
- Molecular Weight
- 404.1800
- 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
(2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol,(-)-Dihydroclusin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(2R,3R)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol,(-)-Dihydroclusin
Itcmdb Generated
ITX-INGREDIENT-DAA0088E2C7A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
404.180
Molecular Formula
C22H28O7
Fda Maximum Daily Dose (Fdamdd)
0.089
Quantitative Estimate Of Drug Likeness（Qed）
0.629