Summary

IMPPAT Phytochemical identifier: IMPHY014003

Phytochemical name: Neolinderan

Synonymous chemical names:
neolinderane

External chemical identifiers:
CID:595425

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Chemical structure information

SMILES:
O=C1OC2C=C1CCC1OC1(Cc1c2c(C)co1)C

InChI:
InChI=1S/C15H16O4/c1-8-7-17-11-6-15(2)12(19-15)4-3-9-5-10(13(8)11)18-14(9)16/h5,7,10,12H,3-4,6H2,1-2H3

InChIKey:
NJMLHRWYACXVHJ-UHFFFAOYSA-N

DeepSMILES:
O=COCC=C5CCCOC3Ccc%11cC)co5))))))C

Functional groups:
CC1=CCOC1=O, CC1OC1(C)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2C=C1CCC1OC1Cc1occc12

Scaffold Graph/Node level:
OC1OC2CC1CCC1OC1CC1OCCC12

Scaffold Graph level:
CC1CC2CC1CCC1CC1CC1CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.283

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Chemical structure download