IngredientID 31653
(r,e)-3-(3-ethoxy-4-hydroxyphenyl)-2-((3-(3-ethoxy-4-hydroxyphenyl)acryloyl)oxy)propanoic acid
C22H24O8
Relationship Network
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Herb: 1Ingredient: 1Target: 10Links: 13
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31653
- Core Entity Id
- 38371
- Source Entity Count
- 1
- Preferred Name
- (r,e)-3-(3-ethoxy-4-hydroxyphenyl)-2-((3-(3-ethoxy-4-hydroxyphenyl)acryloyl)oxy)propanoic acid
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C22H24O8
- Molecular Weight
- 416.4600
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 5.7419
- 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
(R,E)-3-(3-Ethoxy-4-Hydroxyphenyl)-2-((3-(3-Ethoxy-4-Hydroxyphenyl)Acryloyl)Oxy)Propanoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(R,E)-3-(3-Ethoxy-4-Hydroxyphenyl)-2-((3-(3-Ethoxy-4-Hydroxyphenyl)Acryloyl)Oxy)Propanoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(R,E)-3-(3-ethoxy-4-hydroxyphenyl)-2-((3-(3-ethoxy-4-hydroxyphenyl)acryloyl)oxy)propanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(R,E)-3-(3-ethoxy-4-hydroxyphenyl)-2-((3-(3-ethoxy-4-hydroxyphenyl)acryloyl)oxy)propanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(r,e)-3-(3-ethoxy-4-hydroxyphenyl)-2-((3-(3-ethoxy-4-hydroxyphenyl)acryloyl)oxy)propanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(r,e)-3-(3-ethoxy-4-hydroxyphenyl)-2-((3-(3-ethoxy-4-hydroxyphenyl)acryloyl)oxy)propanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041978
Tcmsp
MOL006192
Sym Map
SMIT07849
Tcmbank
TCMBANKIN017109
Etcm Ingredient
(R,E)-3-(3-ethoxy-4-hydroxyphenyl)-2-((3-(3-ethoxy-4-hydroxyphenyl)acryloyl)oxy)propanoic acid
Itcmdb Generated
ITX-INGREDIENT-D5057CA485A9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1
Ob Score
5.7419049635.7419055.742
Suppress
0
Molecule Weight
416.46
Molecular Weight
416.150
Molecular Weight
416.46
Molecular Formula
C22H24O8
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.399