Summary

IMPPAT Phytochemical identifier: IMPHY013703

Phytochemical name: 8-Angeloylegelolide

Synonymous chemical names:
8-angeloyl egelolide

External chemical identifiers:
CID:131752230, ChEBI:175420

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Chemical structure information

SMILES:
C/C=C(/C(=O)OC1CC(C)(O)c2c(C3C1C(C)C(=O)O3)c(oc2)C)C

InChI:
InChI=1S/C19H24O6/c1-6-9(2)17(20)24-13-7-19(5,22)12-8-23-11(4)15(12)16-14(13)10(3)18(21)25-16/h6,8,10,13-14,16,22H,7H2,1-5H3/b9-6+

InChIKey:
UUYOHEAYCPQMKY-RMKNXTFCSA-N

DeepSMILES:
C/C=C/C=O)OCCCC)O)ccCC7CC)C=O)O5)))))coc5))C)))))))))C

Functional groups:
C/C=C(C)C(=O)OC, CO, COC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCc3cocc3C2O1

Scaffold Graph/Node level:
OC1CC2CCCC3COCC3C2O1

Scaffold Graph level:
CC1CC2CCCC3CCCC3C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Cycloheptafurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 2.718

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Chemical structure download