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Chemical structure of Villocarine A

GC76273

Villocarine A

Also known as methyl (E)-2-[(2S,3E,12bR)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Villocarine A is a natural vasorelaxant indole alkaloid

ChemicalCAS1319743-81-1MW366.45FormulaC22H26N2O3
CAS number
1319743-81-1
Molecular weight
366.45
Formula
C22H26N2O3
InChIKey
VAMJZLUOKJRHOW-YNIQLQCKSA-N
Catalogue number
GC76273
Brand
GLPBIO
Computed properties PubChem CID 53357473 · XLogP 2.7 · TPSA 54.6 Ų · H-bond donors 1
XLogP
2.7
TPSA
54.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27

SMILES C/C=C\1/CN2CCC3=C([C@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=CC=CC=C34

Computed descriptors from PubChem (CID 53357473), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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