20-HYDROXYECDYSONE
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular Identity
20-HYDROXYECDYSONE
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
PubChem CID: 5459840
20-hydroxyecdysone is an ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. It has a role as an animal metabolite and a plant metabolite. It is an ecdysteroid, a phytoecdysteroid, a 3beta-sterol, a 20-hydroxy steroid, a 2beta-hydroxy steroid, a 14alpha-hydroxy steroid, a 22-hydroxy steroid and a 25-hydroxy steroid. It is functionally related to an ecdysone.
2D Structure
Properties
C27H44O7
Molecular Formula
480.60
Molecular Weight
g/mol
480.3087
Exact Mass
Da
0.5
XLogP
Drug-like (Lipinski: < 5)
138
TPSA
Good oral absorption (< 140 A²)
6
H-Bond Donors
7
H-Bond Acceptors
869
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
20-HYDROXYECDYSONE5289-74-7Crustecdysonebeta-EcdysoneIsoinokosteroneCommisteroneCrustecdysonEcdysteronViticosteroneTHE-7Ekdisten20-OH ecdysonebeta-ECDYSTERONEEcdystenBIO101
Data from PubChem (NCBI)
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