Summary

IMPPAT Phytochemical identifier: IMPHY009796

Phytochemical name: Plucheoside C

Synonymous chemical names:
plucheoside c (monoterpene glycoside)

External chemical identifiers:
CID:21631003, ZINC:ZINC000145898779

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Chemical structure information

SMILES:
OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](Oc2cc(C)ccc2C(C)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C21H32O10/c1-10(2)12-5-4-11(3)6-13(12)30-19-17(25)16(24)15(23)14(31-19)7-28-20-18(26)21(27,8-22)9-29-20/h4-6,10,14-20,22-27H,7-9H2,1-3H3/t14-,15-,16+,17-,18+,19-,20-,21-/m1/s1

InChIKey:
LPCJLNSWIVWBQB-RHAOSNMYSA-N

DeepSMILES:
OC[C@@]O)CO[C@H][C@@H]5O))OC[C@H]O[C@@H]OcccC)ccc6CC)C)))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@@H](C)OC, cO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(OC2CCCC(COC3CCCO3)O2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCC(COC3CCCO3)O2)CC1

Scaffold Graph level:
C1CCC(CC2CCCC(CCC3CCCC3)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 1.935

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Chemical structure download