FNO
Summary
Name: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione |
Synonyms: | shikonin |
Formula: | C16 H16 O5 |
Formal charge: | 0 |
Formula weight: | 288.295 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-[(1~{R})-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
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 |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O |
SMILES | CACTVS | 3.385 | CC(C)=CC[CH](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCC(C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C |