Summary

IMPPAT Phytochemical identifier: IMPHY009037

Phytochemical name: Platyphyllide

Synonymous chemical names:
platyphyllide

External chemical identifiers:
CID:10932811, ZINC:ZINC000014659786

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Chemical structure information

SMILES:
CC(=C)[C@H]1CCc2c3[C@@H]1OC(=O)c3ccc2

InChI:
InChI=1S/C14H14O2/c1-8(2)10-7-6-9-4-3-5-11-12(9)13(10)16-14(11)15/h3-5,10,13H,1,6-7H2,2H3/t10-,13-/m1/s1

InChIKey:
HPRUINVTECPGHJ-ZWNOBZJWSA-N

DeepSMILES:
CC=C)[C@H]CCcc[C@@H]6OC=O)c5ccc9

Functional groups:
C=C(C)C, cC(=O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2CCCc3cccc1c32

Scaffold Graph/Node level:
OC1OC2CCCC3CCCC1C32

Scaffold Graph level:
CC1CC2CCCC3CCCC1C32

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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 Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Noreudesmane sesquiterpenoids

NP-Likeness score: 1.477

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Chemical structure download