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: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66282
- Core Entity Id
- 128931
- Source Entity Count
- 1
- Preferred Name
- 11,13-dihydroalantolactone
- Name En
- Pubchem Id
- 10633476
- Smiles Canonical
- CC1CCCC2(C1=CC3C(C(=O)OC3C2)C)C
- Molecular Formula
- C15H22O2
- Molecular Weight
- 234.1600
- Inchikey
- UHXFRFWUSTUALX-CTFUPSTPSA-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/h7,9-11,13H,4-6,8H2,1-3H3/t9-,10-,11+,13+,15+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.6000
- 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-dihydroalantolactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
11,13-dihydroalantolactone
Itcmdb Generated
ITX-INGREDIENT-549233A0C2DD
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
234.160
Molecular Formula
C15H22O2
Fda Maximum Daily Dose (Fdamdd)
0.183
Quantitative Estimate Of Drug Likeness（Qed）
0.475