Summary

IMPPAT Phytochemical identifier: IMPHY003527

Phytochemical name: 7-(Furan-3-yl)-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-12-ene-5,15-dione

Synonymous chemical names:
salviarin

External chemical identifiers:
CID:329251

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Chemical structure information

SMILES:
O=C1OC(CC2(C1CCC13C2CC=CC3C(=O)OC1)C)c1cocc1

InChI:
InChI=1S/C20H22O5/c1-19-9-15(12-6-8-23-10-12)25-18(22)13(19)5-7-20-11-24-17(21)14(20)3-2-4-16(19)20/h2-3,6,8,10,13-16H,4-5,7,9,11H2,1H3

InChIKey:
OVZMEMYVSDTLOA-UHFFFAOYSA-N

DeepSMILES:
O=COCCCC6CCCC6CC=CC6C=O)OC9))))))))))))C)))ccocc5

Functional groups:
CC=CC, COC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC(c2ccoc2)CC2C1CCC13COC(=O)C1C=CCC23

Scaffold Graph/Node level:
OC1OC(C2CCOC2)CC2C1CCC13COC(O)C1CCCC23

Scaffold Graph level:
CC1CC(C2CCCC2)CC2C1CCC13CCC(C)C1CCCC23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Colensane and Clerodane diterpenoids

NP-Likeness score: 3.435

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Chemical structure download