Summary

IMPPAT Phytochemical identifier: IMPHY013899

Phytochemical name: 2-Northalmine

Synonymous chemical names:
(-)2-northalmine

External chemical identifiers:
CID:180979

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Chemical structure information

SMILES:
COc1cc2CCN[C@@H]3c2cc1Oc1c2CCN([C@H](c2cc(c1O)OC)Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C

InChI:
InChI=1S/C36H38N2O6/c1-38-14-12-25-27-20-34(42-4)35(39)36(25)44-33-19-26-23(18-31(33)41-3)11-13-37-28(26)15-22-7-10-30(40-2)32(17-22)43-24-8-5-21(6-9-24)16-29(27)38/h5-10,17-20,28-29,37,39H,11-16H2,1-4H3/t28-,29-/m0/s1

InChIKey:
NHMYHHBUVRHDCG-VMPREFPWSA-N

DeepSMILES:
COcccCCN[C@@H]c6cc%10OccCCN[C@H]c6ccc%10O))OC)))))CccccOcccC%21)ccc6OC)))))))))cc6))))))))C

Functional groups:
CN(C)C, CNC, cO, cOC, cOc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2cc(c1)Oc1ccc(cc1)CC1NCCc3c(cccc31)Oc1ccc3c(c1)C(C2)NCC3

Scaffold Graph/Node level:
C1CC2CC(C1)OC1CCC(CC1)CC1NCCC3C(CCCC13)OC1CCC3CCNC(C2)C3C1

Scaffold Graph level:
C1CC2CC3CCC(CC3)CC3CCCC4C(CCCC34)CC3CCC4CCCC(CC(C1)C2)C4C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids

NP-Likeness score: 2.067

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Chemical structure download