Summary

IMPPAT Phytochemical identifier: IMPHY004998

Phytochemical name: [(11R)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate

Synonymous chemical names:
(-)-fawcettiine

External chemical identifiers:
CID:5317325

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Chemical structure information

SMILES:
CC(=O)O[C@@H]1CC2C(O)C(CC34C1CCCN4CCCC23)C

InChI:
InChI=1S/C18H29NO3/c1-11-10-18-14-5-3-7-19(18)8-4-6-15(18)16(22-12(2)20)9-13(14)17(11)21/h11,13-17,21H,3-10H2,1-2H3/t11?,13?,14?,15?,16-,17?,18?/m1/s1

InChIKey:
DQWOXVBLNUYKHM-SPYVFJBBSA-N

DeepSMILES:
CC=O)O[C@@H]CCCO)CCCC8CCCN6CCCC%14%10)))))))))))C

Functional groups:
CC(=O)OC, CN(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCCC24C3CCCN4C1

Scaffold Graph/Node level:
C1CC2CCC3CCCC24C3CCCN4C1

Scaffold Graph level:
C1CC2CCCC3C4CCCC23C(C1)CC4

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 2.467

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Chemical structure download