Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69083
- Core Entity Id
- 131732
- Source Entity Count
- 1
- Preferred Name
- 6-(3-Methyl-2-butenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one
- Name En
- Pubchem Id
- 5321960
- Smiles Canonical
- CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C
- Molecular Formula
- C16H18O4
- Molecular Weight
- 274.1200
- Inchikey
- KRQHZFHWEAJPNO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.8000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 44.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-(3-Methyl-2-butenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
6-(3-Methyl-2-butenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one
Itcmdb Generated
ITX-INGREDIENT-527967D6FCAB
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
274.120
Molecular Formula
C16H18O4
Fda Maximum Daily Dose (Fdamdd)
0.042
Quantitative Estimate Of Drug Likeness（Qed）
0.634