Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66299
- Core Entity Id
- 128948
- Source Entity Count
- 1
- Preferred Name
- 11-Deoxy Corticosterone-d7
- Name En
- Pubchem Id
- 139025386
- Smiles Canonical
- CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C
- Molecular Formula
- C21H30O3
- Molecular Weight
- 330.2200
- Inchikey
- ZESRJSPZRDMNHY-DCTZEZNJSA-N
- Inchi
- InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16+,17-,18-,20+,21+/m1/s1/i3D2,7D2,11D,12D2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.9000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 54.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
11-Deoxy Corticosterone-d7
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
11-Deoxy Corticosterone-d7
Itcmdb Generated
ITX-INGREDIENT-1B2966C0491B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
330.220
Molecular Formula
C21H30O3
Fda Maximum Daily Dose (Fdamdd)
0.597
Quantitative Estimate Of Drug Likeness（Qed）
0.786