Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009558

Phytochemical name: Ferujaesenol

Synonymous chemical names:
ferujaesenol, Ferujaesenol

External chemical identifiers:
CID:CID_101526914

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Chemical structure information

SMILES:
CC1=CCC2=C(C)C[C@@]([C@@H]2[C@H](C1)O)(O)C(C)C

InChI:
InChI=1S/C15H24O2/c1-9(2)15(17)8-11(4)12-6-5-10(3)7-13(16)14(12)15/h5,9,13-14,16-17H,6-8H2,1-4H3/t13-,14-,15+/m0/s1

InChIKey:
JKNXGCVENPOKDP-SOUVJXGZSA-N

DeepSMILES:
CC=CCC=CC)C[C@@][C@@H]5[C@H]C%10)O)))O)CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2=CCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 2.281

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Chemical structure download