Summary

IMPPAT Phytochemical identifier: IMPHY002058

Phytochemical name: Salvifaricin

Synonymous chemical names:
salvifaricin

External chemical identifiers:
CID:12004584, ChEMBL:CHEMBL1489381

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Chemical structure information

SMILES:
O=C1OC[C@@]23C1=CC=C[C@H]3[C@]13[C@@H](C(C2)O[C@H]3O[C@H](C1)c1cocc1)C

InChI:
InChI=1S/C20H20O5/c1-11-14-7-19-10-23-17(21)13(19)3-2-4-16(19)20(11)8-15(25-18(20)24-14)12-5-6-22-9-12/h2-6,9,11,14-16,18H,7-8,10H2,1H3/t11-,14?,15-,16-,18+,19-,20-/m1/s1

InChIKey:
HIKUAKUTPBLJKQ-LPZNWVGASA-N

DeepSMILES:
O=COC[C@]C5=CC=C[C@H]6[C@@][C@@H]CC%10)O[C@H]5O[C@H]C8)ccocc5))))))))))C

Functional groups:
CO[C@H](C)OC, O=C1OCC2CC=CC=C12, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC23CC4CC5(CC(c6ccoc6)OC5O4)C2C=CC=C13

Scaffold Graph/Node level:
OC1OCC23CC4CC5(CC(C6CCOC6)OC5O4)C2CCCC13

Scaffold Graph level:
CC1CCC23CC4CC5CC(C6CCCC6)CC5(C4)C2CCCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Furofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Colensane and Clerodane diterpenoids

NP-Likeness score: 3.539

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Chemical structure download