Summary

IMPPAT Phytochemical identifier: IMPHY000186

Phytochemical name: Salvileucantholide

Synonymous chemical names:
salvileucantholide

External chemical identifiers:
CID:102251628, ZINC:ZINC000238748281

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Chemical structure information

SMILES:
O=C1OC[C@H]2C1=C[C@@H]1O[C@@H]1c1c2cc2C(=O)O[C@H](c2c1C)c1cocc1

InChI:
InChI=1S/C20H14O6/c1-8-15-10(13-7-24-19(21)11(13)5-14-18(15)25-14)4-12-16(8)17(26-20(12)22)9-2-3-23-6-9/h2-6,13-14,17-18H,7H2,1H3/t13-,14+,17+,18+/m1/s1

InChIKey:
ZTYBQWLDCYNQKE-BODMPHMZSA-N

DeepSMILES:
O=COC[C@H]C5=C[C@@H]O[C@@H]3cc8ccC=O)O[C@H]c5c9C)))ccocc5

Functional groups:
cC(=O)OC, c[C@H]1O[C@H]1C=C1CCOC1=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC2C1=CC1OC1c1cc3c(cc12)C(=O)OC3c1ccoc1

Scaffold Graph/Node level:
OC1OCC2C1CC1OC1C1CC3C(CC21)C(O)OC3C1CCOC1

Scaffold Graph level:
CC1CC(C2CCCC2)C2CC3C4CC4CC4C(C)CCC4C3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

ClassyFire Subclass: Benzofuranones

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.968

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Chemical structure download