Dedrogyl
(3E)-3-[(2E)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular Identity
Dedrogyl
(3E)-3-[(2E)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
PubChem CID: 5353325
2D Structure
Properties
C27H44O2
Molecular Formula
400.60
Molecular Weight
g/mol
400.3341
Exact Mass
Da
6.2
XLogP
Above Lipinski threshold
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
655
Complexity
SMILES
Canonical SMILES
SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)CIsomeric SMILES
SMILES: CC(CCCC(C)(C)O)C1CCC\2C1(CCC/C2=C\C=C\3/CC(CCC3=C)O)CSynonyms(13)
Dedrogyl25-Hydroxy vitamin D325-Hydroxy D325-Hydroxy vitamin D25-HCCSCHEMBL33334555,6-cis-25-Hydroxy Vitamin D373809-05-9MFCD230992059,10-Secocholesta-5,7,10(19)-triene-3.beta.,25-diol(5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3.beta.,25-diol #9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3.beta.,5Z,7E)-(3E)-3-[(2E)-2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dedrogyl
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