Summary

IMPPAT Phytochemical identifier: IMPHY010856

Phytochemical name: Tuberonone

Synonymous chemical names:
tuberonone

External chemical identifiers:
CID:101638269, ChEBI:173723, ZINC:ZINC000100783333

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Chemical structure information

SMILES:
CC([C@@H]1C[C@@H](O)C(=C)[C@H]2[C@H]1[C@H](CC2)C(=O)C)C

InChI:
InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1

InChIKey:
JNIVOKDEGVTPPC-ZQNQSHIBSA-N

DeepSMILES:
CC[C@@H]C[C@@H]O)C=C)[C@H][C@H]6[C@H]CC5))C=O)C)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCC12

Scaffold Graph level:
CC1CCCC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Oplopane sesquiterpenoids

NP-Likeness score: 2.787

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Chemical structure download