Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70342
- Core Entity Id
- 132991
- Source Entity Count
- 1
- Preferred Name
- B-Estradiol
- Name En
- Pubchem Id
- 5757
- Smiles Canonical
- CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
- Molecular Formula
- C18H24O2
- Molecular Weight
- 272.1800
- Inchikey
- VOXZDWNPVJITMN-ZBRFXRBCSA-N
- Inchi
- InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
B-Estradiol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
B-Estradiol
Itcmdb Generated
ITX-INGREDIENT-03048D369C64
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
272.180
Molecular Formula
C18H24O2
Fda Maximum Daily Dose (Fdamdd)
0.892
Quantitative Estimate Of Drug Likeness（Qed）
0.757