Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67499
- Core Entity Id
- 130148
- Source Entity Count
- 1
- Preferred Name
- 2-HYDROXYESTRONE
- Name En
- Pubchem Id
- 440623
- Smiles Canonical
- CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)O)O
- Molecular Formula
- C18H22O3
- Molecular Weight
- 286.1600
- Inchikey
- SWINWPBPEKHUOD-JPVZDGGYSA-N
- Inchi
- InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- 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
2-HYDROXYESTRONE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-HYDROXYESTRONE
Itcmdb Generated
ITX-INGREDIENT-5590044BBFE0
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）
0.717