Summary

IMPPAT Phytochemical identifier: IMPHY007516

Phytochemical name: Lasiodiplodin

Synonymous chemical names:
lasiodiplodin

External chemical identifiers:
CID:14562696, ChEMBL:CHEMBL393258, ZINC:ZINC000028875643, MolPort-039-337-135

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Chemical structure information

SMILES:
COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCCCCC2

InChI:
InChI=1S/C17H24O4/c1-12-8-6-4-3-5-7-9-13-10-14(18)11-15(20-2)16(13)17(19)21-12/h10-12,18H,3-9H2,1-2H3/t12-/m0/s1

InChIKey:
OKWRDLQBKAOJNC-LBPRGKRZSA-N

DeepSMILES:
COcccO)ccc6C=O)O[C@@H]C)CCCCCCC%12

Functional groups:
cC(=O)OC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCCCCCCCc2ccccc21

Scaffold Graph/Node level:
OC1OCCCCCCCCC2CCCCC21

Scaffold Graph level:
CC1CCCCCCCCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Macrolides and analogues

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Macrolides

NP Classifier Class: Zearalenones

NP-Likeness score: 1.356

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Chemical structure download