resiniferatoxin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 167
Total Number of Articles : 374
PubChem 134688669
Molecular Formula

C37H40O9

SMILES

C[C@@H]1C[C@@]2([C@H]3C4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)O[C@](O3)(O2)CC7=CC=CC=C7)C(=C)C

InChI

InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27?,30-,33-,34-,35+,36-,37-/m1/s1

synonyms
  • Resiniferatoxin
  • 57444-62-9
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Properties
Property Value
MW 628.7 g/mol
HBD 2
HBA 9
Rotatable Bond Count 9
Exact Mass 628.26723285 g/mol
Monoisotopic Mass 628.26723285 g/mol
Heavy Atom Count 46
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1330
xlogp 4.5
Topological Polar Surface Area 121