Name: (1S)-Calcitriol
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214320653
Cas No:61476-45-7
常用名:(1S)-Calcitriol
IUPAC:(1S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
IUPAC:(1S,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
InChI key:GMRQFYUYWCNGIN-GNVXBELXSA-N

分子式:C27H44O3
分子量:416.646
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O
SMILES:[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O

(1S)-Calcitriol (1α,25-Dihydroxy-3-epi-vitamin-D3) is a natural metabolite of 1α,25-dihydroxyvitamin D3 (1α,25(OH)2D3). (1S)-Calcitriol exhibits potent vitamin D receptor (VDR)-mediated actions such as inhibition of keratinocyte growth or suppression of parathyroid hormone secretion[1].

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