Summary

IMPPAT Phytochemical identifier: IMPHY015686

Phytochemical name: Filifolide A

Synonymous chemical names:
filifolide a

External chemical identifiers:
CID:90472998

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Chemical structure information

SMILES:
O=C1O[C@H]2C[C@@H]1C(C)(C)C=C2C

InChI:
InChI=1S/C10H14O2/c1-6-5-10(2,3)7-4-8(6)12-9(7)11/h5,7-8H,4H2,1-3H3/t7-,8-/m0/s1

InChIKey:
JHKNAYGQYUKKDQ-YUMQZZPRSA-N

DeepSMILES:
O=CO[C@H]C[C@@H]5CC)C)C=C6C

Functional groups:
CC=C(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2C=CCC1C2

Scaffold Graph/Node level:
OC1OC2CCCC1C2

Scaffold Graph level:
CC1CC2CCCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Carane monoterpenoids

NP-Likeness score: 2.483

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Chemical structure download