Summary

IMPPAT Phytochemical identifier: IMPHY000367

Phytochemical name: 15-Methoxy-16-oxo-15,16H-strictic acid

Synonymous chemical names:
15-methoxy-16-oxo-15,16h-strictic acid

External chemical identifiers:
CID:100980006, MolPort-047-581-933

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Chemical structure information

SMILES:
COC1OC(=O)C(=C1)CC[C@]1(C)C/C=CC=C(/C(=C)CC[C@H]1C)C(=O)O

InChI:
InChI=1S/C21H28O5/c1-14-8-9-15(2)21(3,11-6-5-7-17(14)19(22)23)12-10-16-13-18(25-4)26-20(16)24/h5-7,13,15,18H,1,8-12H2,2-4H3,(H,22,23)/b6-5-,17-7+/t15-,18?,21+/m1/s1

InChIKey:
AQUDFOQNDLVDOV-BKXNNBNLSA-N

DeepSMILES:
COCOC=O)C=C5)CC[C@]C)C/C=CC=C/C=C)CC[C@H]%10C)))))C=O)O

Functional groups:
C=C(C)/C(=CC=C/C)C(=O)O, COC1C=C(C)C(=O)O1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CC=CCC(CCC2=CCOC2=O)CCC1

Scaffold Graph/Node level:
CC1CCCCCC(CCC2CCOC2O)CCC1

Scaffold Graph level:
CC1CCCCCC(CCC2CCCC2C)CCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP-Likeness score: 2.555

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Chemical structure download