Summary

IMPPAT Phytochemical identifier: IMPHY004143

Phytochemical name: B-Artedouglasia oxide

Synonymous chemical names:
artedouglasia oxide b

External chemical identifiers:
CID:6427514

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Chemical structure information

SMILES:
C=C[C@@]1(C)CCC(O1)[C@]1(C)OC(C)(C)C=CC1=O

InChI:
InChI=1S/C15H22O3/c1-6-14(4)10-8-12(17-14)15(5)11(16)7-9-13(2,3)18-15/h6-7,9,12H,1,8,10H2,2-5H3/t12?,14-,15+/m0/s1

InChIKey:
YDGSUVJUYWCJCE-JQXSQYPDSA-N

DeepSMILES:
C=C[C@@]C)CCCO5)[C@]C)OCC)C)C=CC6=O

Functional groups:
C=CC, CC=CC(C)=O, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCOC1C1CCCO1

Scaffold Graph/Node level:
OC1CCCOC1C1CCCO1

Scaffold Graph level:
CC1CCCCC1C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 3.14

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Chemical structure download