Summary

Molecular formula: C27H33NO3
SMILES: COc1cc2CN(C(=O)c2c(c1C/C=C(/CCC=C(C)C)C)O)CCc1ccccc1
InChI: InChI=1S/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-23-24(31-4)17-22-18-28(27(30)25(22)26(23)29)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3/b20-13+
InChIKey: ULSKNVPXNYBAQZ-DEDYPNTBSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2CN1CCc1ccccc1

Scaffold Graph/Node level:
OC1C2CCCCC2CN1CCC1CCCCC1

Scaffold Graph level:
CC1C(CCC2CCCCC2)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:
hericerin

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External chemical identifiers:
CID_102195678; NPATLAS_NPA009535; CHEMSPIDER_30777272; ZINC_ZINC000095911883

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Chemical structure download