Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65994
- Core Entity Id
- 128643
- Source Entity Count
- 1
- Preferred Name
- 1,2,3-trimethoxy-5-[(1E)-1-propenyl]benzene
- Name En
- Pubchem Id
- 5318557
- Smiles Canonical
- CC=CC1=CC(=C(C(=C1)OC)OC)OC
- Molecular Formula
- C12H16O3
- Molecular Weight
- 208.1100
- Inchikey
- RRXOQHQFJOQLQR-AATRIKPKSA-N
- Inchi
- InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.5000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 27.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2,3-trimethoxy-5-[(1E)-1-propenyl]benzene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2,3-trimethoxy-5-[(1E)-1-propenyl]benzene
Itcmdb Generated
ITX-INGREDIENT-98D6CBB4907A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
208.110
Molecular Formula
C12H16O3
Fda Maximum Daily Dose (Fdamdd)
0.033
Quantitative Estimate Of Drug Likeness（Qed）
0.761