Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66284
- Core Entity Id
- 128933
- Source Entity Count
- 1
- Preferred Name
- 11,13-Dihydroisoalantolactone
- Name En
- Pubchem Id
- 6451323
- Smiles Canonical
- CC1C2CC3C(=C)CCCC3(CC2OC1=O)C
- Molecular Formula
- C15H22O2
- Molecular Weight
- 234.1600
- Inchikey
- YYJRTJYCOMIDIC-GGAZOKNXSA-N
- Inchi
- InChI=1S/C15H22O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h10-13H,1,4-8H2,2-3H3/t10-,11+,12-,13+,15+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.5000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
11,13-Dihydroisoalantolactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
11,13-Dihydroisoalantolactone
Itcmdb Generated
ITX-INGREDIENT-20F4B992199D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
234.160
Molecular Formula
C15H22O2
Fda Maximum Daily Dose (Fdamdd)
0.178
Quantitative Estimate Of Drug Likeness（Qed）
0.475