Summary

Molecular formula: C29H39NO
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC=C1C2=CC(=O)N1CCc1ccccc1)/C=C/[C@@H](C(C)C)C
InChI: InChI=1S/C29H39NO/c1-20(2)21(3)11-12-22(4)25-13-14-26-24-19-28(31)30(27(24)15-17-29(25,26)5)18-16-23-9-7-6-8-10-23/h6-12,15,19-22,25-26H,13-14,16-18H2,1-5H3/b12-11+/t21-,22+,25+,26-,29+/m0/s1
InChIKey: KJDSEFLYDWGLDK-BAXVWPGLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C(=CCC3CCCC23)N1CCc1ccccc1

Scaffold Graph/Node level:
OC1CC2C3CCCC3CCC2N1CCC1CCCCC1

Scaffold Graph level:
CC1CC2C3CCCC3CCC2C1CCC1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Sesquiterpenoids

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Synonymous chemical names:
hericirine

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External chemical identifiers:
CID_101879483; NPATLAS_NPA011103; CHEMSPIDER_34485433

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Chemical structure download