Summary

IMPPAT Phytochemical identifier: IMPHY002612

Phytochemical name: Yucalexin P8

Synonymous chemical names:
yucalexin p8

External chemical identifiers:
CID:14191199

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Chemical structure information

SMILES:
C=CC1(C)C(=O)C=C2C3(C1O3)CCC1C2(C)CC(=O)C(C1(C)C)O

InChI:
InChI=1S/C20H26O4/c1-6-18(4)14(22)9-13-19(5)10-11(21)15(23)17(2,3)12(19)7-8-20(13)16(18)24-20/h6,9,12,15-16,23H,1,7-8,10H2,2-5H3

InChIKey:
OYQREFBZDOJEAT-UHFFFAOYSA-N

DeepSMILES:
C=CCC)C=O)C=CCC6O3))CCCC6C)CC=O)CC6C)C))O

Functional groups:
C=CC, CC(C)=O, CC1=CC(=O)CC2OC12C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C3CC(=O)CCC3CCC23OC3C1

Scaffold Graph/Node level:
OC1CCC2CCC34OC3CC(O)CC4C2C1

Scaffold Graph level:
CC1CCC2CCC34CC3CC(C)CC4C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Pimarane and Isopimarane diterpenoids

NP-Likeness score: 3.012

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Chemical structure download