Summary

IMPPAT Phytochemical identifier: IMPHY006848

Phytochemical name: Palmirine

Synonymous chemical names:
palmirine

Chemical structure information

SMILES:
COc1ccc2c(c1)[C@]1(CCN3[C@H]1C[C@H]1[C@@H](C3)[C@H](C)OC=C1C(=O)OC)C(=O)N2

InChI:
InChI=1S/C22H26N2O5/c1-12-15-10-24-7-6-22(17-8-13(27-2)4-5-18(17)23-21(22)26)19(24)9-14(15)16(11-29-12)20(25)28-3/h4-5,8,11-12,14-15,19H,6-7,9-10H2,1-3H3,(H,23,26)/t12-,14-,15-,19-,22-/m0/s1

InChIKey:
HSEWZVYXOFZIMV-IHGKUHQXSA-N

DeepSMILES:
COcccccc6)[C@]CCN[C@H]5C[C@H][C@@H]C6)[C@H]C)OC=C6C=O)OC))))))))))))))C=O)N5

Functional groups:
CN(C)C, COC(=O)C(C)=COC, cNC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Nc2ccccc2C12CCN1CC3COC=CC3CC12

Scaffold Graph/Node level:
OC1NC2CCCCC2C12CCN1CC3COCCC3CC12

Scaffold Graph level:
CC1CC2CCCCC2C12CCC1CC3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.714

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Chemical structure download