FNO

2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione

Created:	2020-06-11
Last modified:	2024-09-27

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4 entries where FNO is found as a standalone ligand1 entries where FNO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	6

2D diagram of FNO

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Chemical Component Summary
Name	2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione
Synonyms	shikonin
Systematic Name (OpenEye OEToolkits)	2-[(1~{R})-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione
Formula	C₁₆ H₁₆ O₅
Molecular Weight	288.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)=CC[CH](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
SMILES	OpenEye OEToolkits	2.0.7	CC(=CCC(C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C
Canonical SMILES	CACTVS	3.385	CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C
InChI	InChI	1.03	InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1
InChIKey	InChI	1.03	NEZONWMXZKDMKF-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL9470
PubChem	479503
ChEMBL	CHEMBL9470
ChEBI	CHEBI:81068

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