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Chemical structure of PDDHV

GC44586

PDDHV

Also known as [(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1,6-dihydroxy-8-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxymethyl]-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate

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

ChemicalCAS179469-40-0MW837.1FormulaC49H72O11
CAS number
179469-40-0
Molecular weight
837.1
Formula
C49H72O11
Solubility
Soluble in DMSO
InChIKey
DXGOIXWTPMLJIK-FPBOOSLESA-N
Catalogue number
GC44586
Brand
GLPBIO
Computed properties PubChem CID 10653082 · XLogP 10.2 · TPSA 166 Ų · H-bond donors 3
XLogP
10.2
TPSA
166 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
26
Heavy atoms
60

SMILES CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)COC(=O)CC4=CC(=C(C=C4)O)OC)[C@H]5[C@@]1(C5(C)C)OC(=O)CCCCCCCCC)O)C

Computed descriptors from PubChem (CID 10653082), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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