Summary

IMPPAT Phytochemical identifier: IMPHY015105

Phytochemical name: Uvariamicin I

Synonymous chemical names:
uvariamicin i

External chemical identifiers:
CID:101392148

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC[C@@H]([C@@H]1CC[C@H](O1)[C@H](CCCCCCCCCCCCC1=CC(OC1=O)C)O)O

InChI:
InChI=1S/C38H70O5/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-34(39)36-29-30-37(43-36)35(40)28-25-22-19-16-13-12-14-17-20-23-26-33-31-32(2)42-38(33)41/h31-32,34-37,39-40H,3-30H2,1-2H3/t32?,34-,35-,36-,37-/m0/s1

InChIKey:
JYTRVNUORRNNQU-OINPDUSQSA-N

DeepSMILES:
CCCCCCCCCCCCCCC[C@@H][C@@H]CC[C@H]O5)[C@H]CCCCCCCCCCCCC=CCOC5=O)))C))))))))))))))))O))))))O

Functional groups:
CC1=CCOC1=O, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC=C1CCCCCCCCCCCCCC1CCCO1

Scaffold Graph/Node level:
OC1OCCC1CCCCCCCCCCCCCC1CCCO1

Scaffold Graph level:
CC1CCCC1CCCCCCCCCCCCCC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Linear polyketides

NP Classifier Class: Acetogenins

NP-Likeness score: 1.532

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Chemical structure download