Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17756
- Core Entity Id
- 22908
- Source Entity Count
- 1
- Preferred Name
- (e)-3-methoxy-4,5-methylenedioxy-cinnamicaldehyde
- Name En
- Pubchem Id
- 124355976
- Smiles Canonical
- COC1=CC(=CC2=C1OCO2)C=CC=O
- Molecular Formula
- C11H10O4
- Molecular Weight
- 206.1970
- Inchikey
- IQMBSQBMNIILBR-IHWYPQMZSA-N
- Inchi
- InChI=1S/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2-
- Isomeric Smiles
- COC1=CC(=CC2=C1OCO2)/C=C\C=O
- Cas Id
- Ob Score
- Mol Logp
- 1.6360
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-3-Methoxy-4,5-Methylenedioxy-Cinnamicaldehyde
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(E)-3-Methoxy-4,5-methylenedioxycinnamicaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(e)-3-methoxy-4,5-methylenedioxy-cinnamicaldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(e)-3-methoxy-4,5-methylenedioxy-cinnamicaldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(e)-3-methoxy-4,5-methylenedioxy-cinnamicaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(e)-3-methoxy-4,5-methylenedioxycinnamical-dehyde
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-Methoxy-4,5-methylenedioxycinnamicaldehyde(e)-3-methoxy-4,5-methylenedioxycinnamical-dehyde
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024690
Tcmid
1400531567
Sym Map
SMIT19970
Pub Chem
124355976
Tcmbank
TCMBANKIN011703
Etcm Ingredient
(E)-3-Methoxy-4,5-methylenedioxycinnamicaldehyde
Itcmdb Generated
ITX-INGREDIENT-5375A52993DDITX-INGREDIENT-97BCD97C37EF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2-
Mol Wt
206.197
Smiles
COC1=CC(=CC2=C1OCO2)C=CC=O
Mol Log P
1.636
Version
v2
In Ch Ikey
IQMBSQBMNIILBR-IHWYPQMZSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.557
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC2=C1OCO2)/C=C\C=O
Canonical Smiles
COC1=CC(=CC2=C1OCO2)C=CC=O
Molecular Weight
206.060
Molecular Formula
C11H10O4
Molecular Formula
C11H10O4
Molecular Formula
C11H10O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.591
Quantitative Estimate Of Drug Likeness（Qed）
0.557