Summary

Molecular formula: C42H50N2O11
SMILES: C/C(=CCc1cc2CN(C(=O)c2cc1O)CCCC[C@H](N1Cc2c(C1=O)cc(c(c2O)C/C=C(/CC/C=C(/C(=O)O)C)C)O)C(=O)O)/CC/C=C(/C(=O)O)C
InChI: InChI=1S/C42H50N2O11/c1-24(9-7-11-26(3)40(50)51)14-16-28-19-29-22-43(38(48)31(29)20-35(28)45)18-6-5-13-34(42(54)55)44-23-33-32(39(44)49)21-36(46)30(37(33)47)17-15-25(2)10-8-12-27(4)41(52)53/h11-12,14-15,19-21,34,45-47H,5-10,13,16-18,22-23H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)/b24-14+,25-15+,26-11+,27-12+/t34-/m0/s1
InChIKey: VVOJZOHTWCRLBZ-AHBFLYJPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2CN1CCCCCN1Cc2ccccc2C1=O

Scaffold Graph/Node level:
OC1C2CCCCC2CN1CCCCCN1CC2CCCCC2C1O

Scaffold Graph level:
CC1C(CCCCCC2CC3CCCCC3C2C)CC2CCCCC21

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Isoindoles and derivatives
Sub class: Isoindolines

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Synonymous chemical names:
caputmedusin a

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Chemical structure download