Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67814
- Core Entity Id
- 130463
- Source Entity Count
- 1
- Preferred Name
- 3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one
- Name En
- Pubchem Id
- 28516
- Smiles Canonical
- CC1CC2=C(C(=CC=C2)O)C(=O)O1
- Molecular Formula
- C10H10O3
- Molecular Weight
- 178.0600
- Inchikey
- KWILGNNWGSNMPA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.4000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 46.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one
Itcmdb Generated
ITX-INGREDIENT-20C5938A8106
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
178.060
Molecular Formula
C10H10O3
Fda Maximum Daily Dose (Fdamdd)
0.103
Quantitative Estimate Of Drug Likeness（Qed）
0.612