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
- 71975
- Core Entity Id
- 134624
- Source Entity Count
- 1
- Preferred Name
- Etiocholanone
- Name En
- Pubchem Id
- 7060918
- Smiles Canonical
- CC12CCCCC1CCC3C2CCC4(C3CCC4=O)C
- Molecular Formula
- C19H30O2
- Molecular Weight
- 290.2200
- Inchikey
- YJDYCULVYZDESB-USOAJAOKSA-N
- Inchi
- InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.7000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Etiocholanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Etiocholanone
Itcmdb Generated
ITX-INGREDIENT-1D1EDE151FC5
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
290.220
Molecular Formula
C19H30O2
Fda Maximum Daily Dose (Fdamdd)
0.818
Quantitative Estimate Of Drug Likeness（Qed）
0.733