Summary

IMPPAT Phytochemical identifier: IMPHY014042

Phytochemical name: (-)-Olivil

Synonymous chemical names:
(-)-olivil

External chemical identifiers:
CID:5273570, ZINC:ZINC000033816103, FDASRS:P22CU5PR9T, SureChEMBL:SCHEMBL2979176, MolPort-039-052-534

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Chemical structure information

SMILES:
COc1cc(ccc1O)C[C@@]1(O)CO[C@@H]([C@H]1CO)c1ccc(c(c1)OC)O

InChI:
InChI=1S/C20H24O7/c1-25-17-7-12(3-5-15(17)22)9-20(24)11-27-19(14(20)10-21)13-4-6-16(23)18(8-13)26-2/h3-8,14,19,21-24H,9-11H2,1-2H3/t14-,19-,20-/m1/s1

InChIKey:
BVHIKUCXNBQDEM-JSNMRZPZSA-N

DeepSMILES:
COcccccc6O))))C[C@@]O)CO[C@@H][C@H]5CO)))cccccc6)OC)))O

Functional groups:
CO, COC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CC2COC(c3ccccc3)C2)cc1

Scaffold Graph/Node level:
C1CCC(CC2COC(C3CCCCC3)C2)CC1

Scaffold Graph level:
C1CCC(CC2CCC(C3CCCCC3)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

ClassyFire Class: Furanoid lignans

ClassyFire Subclass: Tetrahydrofuran lignans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Furanoid lignans

NP-Likeness score: 1.334

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Chemical structure download