Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65732
- Core Entity Id
- 128381
- Source Entity Count
- 1
- Preferred Name
- (E)-methyl isoeugenol
- Name En
- Pubchem Id
- 637776
- Smiles Canonical
- CC=CC1=CC(=C(C=C1)OC)OC
- Molecular Formula
- C11H14O2
- Molecular Weight
- 178.1000
- Inchikey
- NNWHUJCUHAELCL-SNAWJCMRSA-N
- Inchi
- InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.5000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 18.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-methyl isoeugenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(E)-methyl isoeugenol
Itcmdb Generated
ITX-INGREDIENT-D12FF8AB17A9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
178.100
Molecular Formula
C11H14O2
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.708