Summary

IMPPAT Phytochemical identifier: IMPHY016760

Phytochemical name: 4-hydroperoxy-8-methyl-3-methylidene-5-propan-2-yl-2,4,4a,5,8,8a-hexahydro-1H-naphthalene

Synonymous chemical names:
murolan-3,9(11)-diene-10-peroxy

External chemical identifiers:
CID:536595

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Chemical structure information

SMILES:
OOC1C(=C)CCC2C1C(C=CC2C)C(C)C

InChI:
InChI=1S/C15H24O2/c1-9(2)12-7-5-10(3)13-8-6-11(4)15(17-16)14(12)13/h5,7,9-10,12-16H,4,6,8H2,1-3H3

InChIKey:
DFHGJIJFSPSKJV-UHFFFAOYSA-N

DeepSMILES:
OOCC=C)CCCC6CC=CC6C))))CC)C

Functional groups:
C=C(C)C, CC=CC, COO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC=CCC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: Germacrane sesquiterpenoids

NP-Likeness score: 2.642

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Chemical structure download