Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 13Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71923
- Core Entity Id
- 134572
- Source Entity Count
- 1
- Preferred Name
- ethinyl estradiol
- Name En
- Pubchem Id
- 5991
- Smiles Canonical
- CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
- Molecular Formula
- C20H24O2
- Molecular Weight
- 296.1800
- Inchikey
- BFPYWIDHMRZLRN-SLHNCBLASA-N
- Inchi
- InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.7000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
ethinyl estradiol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
ethinyl estradiol
Itcmdb Generated
ITX-INGREDIENT-2BA32C918A9B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
296.180
Molecular Formula
C20H24O2
Fda Maximum Daily Dose (Fdamdd)
0.928
Quantitative Estimate Of Drug Likeness（Qed）
0.718