Name: PDDHV
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212875765
Cas No:179469-40-0
常用名:PDDHV
IUPAC:(1S,2S,6R,10S,11R,13S,14R,15R)-14-(decanoyloxy)-1,6-dihydroxy-8-({[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxy}methyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl decanoate
IUPAC:(1S,2S,6R,10S,11R,13S,14R,15R)-14-(decanoyloxy)-1,6-dihydroxy-8-({[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxy}methyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl decanoate
InChI key:DXGOIXWTPMLJIK-FPBOOSLESA-N

分子式:C49H72O11
分子量:837.104
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:9.540629
SMILES:CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3ccc(O)c(OC)c3)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCCC |c:42,t:18|
SMILES:CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3ccc(O)c(OC)c3)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCCC |c:42,t:18|

PDDHV is a resiniferatoxin-type phorboid vanilloid with capsaicin-like selectivity for the cloned rat transient receptor potential cation channel subfamily V member 1 (TRPV1), formerly known as vanilloid receptor 1. It induces Ca2+-uptake by rat dorsal root ganglion neurons with an EC50 value of 70 nM.

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