Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 13Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66497
- Core Entity Id
- 129146
- Source Entity Count
- 1
- Preferred Name
- 16alpha-Hydroxyestrone
- Name En
- Pubchem Id
- 115116
- Smiles Canonical
- CC12CCC3C(C1CC(C2=O)O)CCC4=C3C=CC(=C4)O
- Molecular Formula
- C18H22O3
- Molecular Weight
- 286.1600
- Inchikey
- WPOCIZJTELRQMF-QFXBJFAPSA-N
- Inchi
- InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
16alpha-Hydroxyestrone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
16alpha-Hydroxyestrone
Itcmdb Generated
ITX-INGREDIENT-E9394A54EB6B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
286.160
Molecular Formula
C18H22O3
Fda Maximum Daily Dose (Fdamdd)
0.912
Quantitative Estimate Of Drug Likeness（Qed）
0.771