IngredientID 4485

3-hydroxy-4-methoxyl benzaldehyde

C8H8O3

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Relationship Network

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Ingredient: 1Target: 9Links: 9
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
4485
Core Entity Id
8175
Source Entity Count
1
Preferred Name
3-hydroxy-4-methoxyl benzaldehyde
Name En
Pubchem Id
12127
Smiles Canonical
COC1=C(C=C(C=C1)C=O)O
Molecular Formula
C8H8O3
Molecular Weight
0.0000
Inchikey
JVTZFYYHCGSXJV-UHFFFAOYSA-N
Inchi
InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
1.0000
Num H Donors
1
Num H Acceptors
3
Num Rotatable Bonds
2
Drug Likeness
Polar Surface Area
46.5000
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
3-hydroxy-4-methoxyl benzaldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-hydroxy-4-methoxyl benzaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-hydroxy-4-methoxyl benzaldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN008669
Tcm Id
8091
Tcmbank
TCMBANKIN009735

Attributes

Merged source attributes and domain-specific metadata.

Molecular Weight
0