Summary

IMPPAT Phytochemical identifier: IMPHY007681

Phytochemical name: Bombiprenone

Synonymous chemical names:
6,10,14,18,22,26, 30,34- octamethyl-5,9,13,17,21,25,29,33,-pentatri- acontaoctaen-2-one (bombiprenone), bombiprenone

External chemical identifiers:
CID:12300193, ZINC:ZINC000096023586, SureChEMBL:SCHEMBL7944381

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Chemical structure information

SMILES:
C/C(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)/C)/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C

InChI:
InChI=1S/C43H70O/c1-35(2)19-11-20-36(3)21-12-22-37(4)23-13-24-38(5)25-14-26-39(6)27-15-28-40(7)29-16-30-41(8)31-17-32-42(9)33-18-34-43(10)44/h19,21,23,25,27,29,31,33H,11-18,20,22,24,26,28,30,32,34H2,1-10H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+

InChIKey:
RPUKUBKVRRNJDI-WDXILIIOSA-N

DeepSMILES:
C/C=CCC/C=C/CC/C=C/CC/C=C/CCC=O)C)))))/C)))))/C)))))/C)))))/CC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))C)))))C)))))C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Tetraterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Carotenoids (C40), Polyprenols

NP Classifier Class: Bactoprenols, Carotenoids (C40, Ψ-Ψ)

NP-Likeness score: 0.673

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Chemical structure download