Summary

IMPPAT Phytochemical identifier: IMPHY012648

Phytochemical name: Stephasunoline

Synonymous chemical names:
stephasunoline

External chemical identifiers:
CID:618654

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Chemical structure information

SMILES:
COC1C(O)CC23C4(C1(O)OC(C4)c1c3c(OC)c(cc1)OC)N(C)CC2

InChI:
InChI=1S/C20H27NO6/c1-21-8-7-18-9-12(22)17(26-4)20(23)19(18,21)10-14(27-20)11-5-6-13(24-2)16(25-3)15(11)18/h5-6,12,14,17,22-23H,7-10H2,1-4H3

InChIKey:
WOGSBUNWOTVHQN-UHFFFAOYSA-N

DeepSMILES:
COCCO)CCCC6O)OCC5)cc7cOC))ccc6))OC)))))))))NC)CC5

Functional groups:
CN(C)C, CO, COC, COC(C)(C)O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)C1CC34NCCC23CCCC4O1

Scaffold Graph/Node level:
C1CCC2C(C1)C1CC34NCCC23CCCC4O1

Scaffold Graph level:
C1CCC2C(C1)C1CC3CCCC24CCCC34C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Hasubanan alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Hasubanan alkaloids

NP-Likeness score: 2.712

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Chemical structure download