Summary

IMPPAT Phytochemical identifier: IMPHY002211

Phytochemical name: Persicachrome

Synonymous chemical names:
persicachrome

External chemical identifiers:
CID:101643018, ChEBI:175065

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Chemical structure information

SMILES:
OC/C(=C/C=C/C=C(/C=C/C=C(C1C=C2C(O1)(C)C[C@H](CC2(C)C)O)/C)C)/C

InChI:
InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7+,12-9+,18-10+,19-11+,20-13-/t21-,22?,25?/m0/s1

InChIKey:
MLVPRCYREVPVES-LJUDBAABSA-N

DeepSMILES:
OC/C=C/C=C/C=C/C=C/C=CCC=CCO5)C)C[C@H]CC6C)C)))O)))))))/C)))))C))))))/C

Functional groups:
C/C(C)=CC=CC(C)=CC=CC=C(C)C, CC=C(C)C, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2OC1

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Apocarotenoids (β-)

NP-Likeness score: 3.019

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Chemical structure download