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: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67420
- Core Entity Id
- 130069
- Source Entity Count
- 1
- Preferred Name
- 2-deoxy-20-hydroxyecdysone
- Name En
- Pubchem Id
- 9912297
- Smiles Canonical
- CC12CCC(CC1C(=O)C=C3C2CCC4(C3(CCC4C(C)(C(CCC(C)(C)O)O)O)O)C)O
- Molecular Formula
- C27H44O6
- Molecular Weight
- 464.3100
- Inchikey
- JNTQSSGVHLUIBL-GLPVALQZSA-N
- Inchi
- InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26+,27+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 118.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-deoxy-20-hydroxyecdysone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-deoxy-20-hydroxyecdysone
Itcmdb Generated
ITX-INGREDIENT-2F7D6538D951
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
464.310
Molecular Formula
C27H44O6
Fda Maximum Daily Dose (Fdamdd)
0.959
Quantitative Estimate Of Drug Likeness（Qed）
0.399