Summary

IMPPAT Phytochemical identifier: IMPHY003541

Phytochemical name: 11(13)-Dehydroivaxillin

Synonymous chemical names:
11(13)-dehydro-eriolin, 11(13)-dehydroivaxillin

External chemical identifiers:
CID:435723, MolPort-047-145-370

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Chemical structure information

SMILES:
O=C1OC2C(C1=C)CC1OC1(C)CCC1C(C2)(C)O1

InChI:
InChI=1S/C15H20O4/c1-8-9-6-12-14(2,19-12)5-4-11-15(3,18-11)7-10(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3

InChIKey:
SSZZFAJCDFWCJW-UHFFFAOYSA-N

DeepSMILES:
O=COCCC5=C))CCOC3C)CCCCC%11)C)O3

Functional groups:
C=C1CCOC1=O, CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2CC3OC3CCC3OC3CC12

Scaffold Graph/Node level:
CC1C(O)OC2CC3OC3CCC3OC3CC21

Scaffold Graph level:
CC1CC2CC3CC3CCC3CC3CC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.465

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Chemical structure download