Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66285
- Core Entity Id
- 128934
- Source Entity Count
- 1
- Preferred Name
- 11,13-dihydroivalin
- Name En
- Pubchem Id
- 13944074
- Smiles Canonical
- CC1C2CC3C(=C)CC(CC3(CC2OC1=O)C)O
- Molecular Formula
- C15H22O3
- Molecular Weight
- 250.1600
- Inchikey
- FPEGOJNBPHXMRU-GGZSWOCBSA-N
- Inchi
- InChI=1S/C15H22O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h9-13,16H,1,4-7H2,2-3H3/t9-,10-,11+,12-,13+,15+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.2000
- 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
11,13-dihydroivalin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
11,13-dihydroivalin
Itcmdb Generated
ITX-INGREDIENT-624E2BFC53F3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
250.160
Molecular Formula
C15H22O3
Fda Maximum Daily Dose (Fdamdd)
0.885
Quantitative Estimate Of Drug Likeness（Qed）
0.530