Summary

IMPPAT Phytochemical identifier: IMPHY005384

Phytochemical name: Browniine

Synonymous chemical names:
browniine

External chemical identifiers:
CID:165288

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Chemical structure information

SMILES:
COCC12CCC(C34C2C(OC)C(C3N(C1)CC)(O)C1(C2C4CC(C2O)C(C1)OC)O)OC

InChI:
InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3

InChIKey:
MODXUQZMEBLSJD-UHFFFAOYSA-N

DeepSMILES:
COCCCCCCC6COC))CC5NC%11)CC))))O)CCC7CCC5O))CC7)OC)))))))O))))))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

Scaffold Graph/Node level:
C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

Scaffold Graph level:
C1CC2CCC3C4CC2C3(C1)C1CC2CCC4C1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Terpenoid alkaloids

NP-Likeness score: 3.761

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Chemical structure download