Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001033

Phytochemical name: Cyclocolorenone

Synonymous chemical names:
Cyclocolorenone, cyclocolorenone

External chemical identifiers:
CID:CID_160491

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Chemical structure information

SMILES:
C[C@@H]1CC[C@@H]2[C@H](C3=C(C(=O)C[C@H]13)C)C2(C)C

InChI:
InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m1/s1

InChIKey:
ZEEUIOBUKGZKPS-IDTAVKCVSA-N

DeepSMILES:
C[C@@H]CC[C@@H][C@H]C=CC=O)C[C@H]%105)))C)))C3C)C

Functional groups:
CC1=C(C)CCC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C(CCCC3CC23)C1

Scaffold Graph/Node level:
OC1CC2CCCC3CC3C2C1

Scaffold Graph level:
CC1CC2CCCC3CC3C2C1

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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: Aromadendrane sesquiterpenoids, Guaiane sesquiterpenoids

NP-Likeness score: 2.572

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Chemical structure download