Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006451

Phytochemical name: Prezizaan-15-al

Synonymous chemical names:
prezizaan-15-al

External chemical identifiers:
CID:CID_6428399

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Chemical structure information

SMILES:
O=CC1[C@@H]2CC[C@@]3(C2)C(C1(C)C)CC[C@@H]3C

InChI:
InChI=1S/C15H24O/c1-10-4-5-13-14(2,3)12(9-16)11-6-7-15(10,13)8-11/h9-13H,4-8H2,1-3H3/t10-,11+,12?,13?,15-/m0/s1

InChIKey:
FHSLAXWYMZHYPS-XILHMQAWSA-N

DeepSMILES:
O=CC[C@@H]CC[C@@]C5)CC7C)C))CC[C@@H]5C

Functional groups:
CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC2(C1)C3

Scaffold Graph/Node level:
C1CC2CCC3CCC2(C1)C3

Scaffold Graph level:
C1CC2CCC3CCC2(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: Prezizaane sesquiterpenoids

NP-Likeness score: 2.886

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Chemical structure download