Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 46283
- Core Entity Id
- 89294
- Source Entity Count
- 1
- Preferred Name
- 3-(4-Hydroxy-3-methoxyphenyl)-2-propenal
- Name En
- Pubchem Id
- 5280536
- Smiles Canonical
- COC1=C(C=CC(=C1)C=CC=O)O
- Molecular Formula
- C10H10O3
- Molecular Weight
- 178.0600
- Inchikey
- DKZBBWMURDFHNE-NSCUHMNNSA-N
- Inchi
- InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.5000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(4-Hydroxy-3-methoxyphenyl)-2-propenal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-(4-Hydroxy-3-methoxyphenyl)-2-propenal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Occurs in wood
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Occurs in wood
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN021248
Etcm Ingredient
3-(4-Hydroxy-3-methoxyphenyl)-2-propenal
Itcmdb Generated
ITX-INGREDIENT-5CBC80B68BD4ITX-INGREDIENT-DFACA16C8E11
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name2
Occurs in wood
Mol2 Path
/TCM_database/2007_3d_all/10453.mol2
Reference
1521
Molecular Weight
178.060
Molecular Formula
C10H10O3
Fda Maximum Daily Dose (Fdamdd)
0.453
Quantitative Estimate Of Drug Likeness（Qed）
0.565