Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018031

Phytochemical name: (±)-Debromofiliformin

Synonymous chemical names:
(±)-Debromofiliformin

Chemical structure information

SMILES:
Cc1ccc2c(c1)O[C@@]1([C@@H]([C@@]2(C)CC1)C)C

InChI:
InChI=1S/C15H20O/c1-10-5-6-12-13(9-10)16-15(4)8-7-14(12,3)11(15)2/h5-6,9,11H,7-8H2,1-4H3/t11-,14-,15+/m1/s1

InChIKey:
KTFYXLCHBBZWNO-DFBGVHRSSA-N

DeepSMILES:
Ccccccc6)O[C@@][C@@H][C@@]6C)CC5)))C))C

Functional groups:
cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1CCC2C1

Scaffold Graph/Node level:
C1CCC2C3CCC(C3)OC2C1

Scaffold Graph level:
C1CCC2C(C1)CC1CCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Laurane sesquiterpenoids

NP-Likeness score: 1.551

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Chemical structure download