Summary
SMILES: CC(=CCCC1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2c1cc(c(c2)O)c1c(O)ccc2c1[nH]c1c2cc(c2c1C=CC(O2)(C)CCC=C(C)C)C)CInChI: InChI=1S/C46H48N2O4/c1-25(2)11-9-17-45(7)19-15-30-40-34(22-28(6)43(30)51-45)32-23-35(38(50)24-36(32)47-40)39-37(49)14-13-29-33-21-27(5)44-31(41(33)48-42(29)39)16-20-46(8,52-44)18-10-12-26(3)4/h11-16,19-24,47-50H,9-10,17-18H2,1-8H3InChIKey: DUWZYYIUQUHQBX-UHFFFAOYSA-N
DeepSMILES: CC=CCCCC)C=CccO6)cC)ccc6[nH]cc5cccc6)O))ccO)cccc6[nH]cc5cccc6C=CCO6)C)CCC=CC)C))))))))))C)))))))))))))))))))))))))))))C
Scaffold Graph/Node/Bond level: C1=Cc2c(ccc3c2[nH]c2ccc(-c4cccc5c4[nH]c4c6c(ccc45)OCC=C6)cc23)OC1
Scaffold Graph/Node level: C1COC2CCC3C4CC(C5CCCC6C7CCC8OCCCC8C7NC56)CCC4NC3C2C1
Scaffold Graph level: C1CCC2C(C1)CCC1C3CC(C4CCCC5C4CC4C6CCCCC6CCC45)CCC3CC21
Functional groups: CC=C(C)C; cC=CC; cO; cOC; c[nH]c
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Indoles and derivatives
ClassyFire Subclass: Carbazoles
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Carbazole alkaloids
Synonymous chemical names:bismahanine
External chemical identifiers:CID:10327320; ChEBI:168805
Chemical structure download