IngredientID 2574
(-)(2r,3s)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester
C23H28O6
Relationship Network
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Herb: 1Ingredient: 1Target: 12Links: 13
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2574
- Core Entity Id
- 6048
- Source Entity Count
- 1
- Preferred Name
- (-)(2r,3s)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C23H28O6
- Molecular Weight
- 400.5100
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 9.5920
- 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,3S)-2,3-Dihydro-2-(4-Hydroxy-3-Methoxy Phenyl)-3-Hydroxy-Methyl-7-Methoxy-5-Benzofuran Propanoic Acid Ethyl Ester
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+)(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)(2r,3s)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)(2r,3s)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)(2R,3S)-2,3-Dihydro-2-(4-Hydroxy-3-Methoxy Phenyl)-3-Hydroxy-Methyl-7-Methoxy-5-Benzofuran Propanoic Acid Ethyl Ester
Role
preferred
Source
SymMap_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(+)(2R,3S)-2,3-Dihydro-2-(4-Hydroxy-3-Methoxy Phenyl)-3-Hydroxy-Methyl-7-Methoxy-5-Benzofuran Propanoic Acid Ethyl Ester
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006463HBIN006464
Tcmsp
MOL012224MOL012226
Sym Map
SMIT13012SMIT13014
Tcmbank
TCMBANKIN027614TCMBANKIN033630
Etcm Ingredient
(+)(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester(-)-(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxy phenyl)-3-hydroxy-methyl-7-methoxy-5-benzofuran propanoic acid ethyl ester
Itcmdb Generated
ITX-INGREDIENT-4A2772240811ITX-INGREDIENT-9CD2FE1F2C7F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
9.5929.592469.592460069
Suppress
0
Molecule Weight
400.51
Molecular Weight
400.190
Molecular Weight
400.51
Molecular Formula
C23H28O6
Fda Maximum Daily Dose (Fdamdd)
0.5840.860
Quantitative Estimate Of Drug Likeness（Qed）
0.664