Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006492

Phytochemical name: Decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-carbaldehyde

Synonymous chemical names:
longifolenealdehyde, longifolenaldehyde, Decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-carbaldehyde, Decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-carboxaldehyde

External chemical identifiers:
CID:CID_565584, SureChEMBL:SCHEMBL3001348

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Chemical structure information

SMILES:
O=CC1C2CCC3C1(C)CCCC(C23)(C)C

InChI:
InChI=1S/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h9-13H,4-8H2,1-3H3

InChIKey:
PBMHTGOFWRRJFS-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCC6C)CCCCC%107)C)C

Functional groups:
CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph/Node level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph level:
C1CCC2C3CCC2C(C1)C3

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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: Longifolane sesquiterpenoids

NP-Likeness score: 2.564

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Chemical structure download