V5P

lignostilbene

Created:	2020-06-30
Last modified:	2021-05-12

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1 entries where V5P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of V5P

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Chemical Component Summary
Name	lignostilbene
Synonyms	4,4'-[(E)-ethene-1,2-diyl]bis(2-methoxyphenol)
Systematic Name (OpenEye OEToolkits)	2-methoxy-4-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]phenol
Formula	C₁₆ H₁₆ O₄
Molecular Weight	272.296
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(O)c(c1)OC)\C=C\c2cc(c(cc2)O)OC
SMILES	CACTVS	3.385	COc1cc(ccc1O)C=Cc2ccc(O)c(OC)c2
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1O)C=Cc2ccc(c(c2)OC)O
Canonical SMILES	CACTVS	3.385	COc1cc(ccc1O)\C=C\c2ccc(O)c(OC)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1O)/C=C/c2ccc(c(c2)OC)O
InChI	InChI	1.03	InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3+
InChIKey	InChI	1.03	KQPXJFAYGYIGRU-ONEGZZNKSA-N

Related Resource References

Resource Name	Reference
PubChem	5280698
ChEMBL	CHEMBL2260731
ChEBI	CHEBI:17501, CHEBI:36390
CCDC/CSD	SUCQOW, SUCQOW01

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