Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66942
- Core Entity Id
- 129591
- Source Entity Count
- 1
- Preferred Name
- 2,3-dihydroaromaticin
- Name En
- Pubchem Id
- 44398509
- Smiles Canonical
- CC1CC2C(CC3(C1CCC3=O)C)C(=C)C(=O)O2
- Molecular Formula
- C15H20O3
- Molecular Weight
- 248.1400
- Inchikey
- DCKYPAZZUYXYTC-GCJOFGIHSA-N
- Inchi
- InChI=1S/C15H20O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-12H,2,4-7H2,1,3H3/t8-,10-,11+,12-,15+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.1000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 43.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-dihydroaromaticin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2,3-dihydroaromaticin
Itcmdb Generated
ITX-INGREDIENT-476931F23402
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
248.140
Molecular Formula
C15H20O3
Fda Maximum Daily Dose (Fdamdd)
0.559
Quantitative Estimate Of Drug Likeness（Qed）
0.488