Summary

IMPPAT Phytochemical identifier: IMPHY001051

Phytochemical name: Artabsin

Synonymous chemical names:
artabasin, artabsin

External chemical identifiers:
CID:442146, ChEBI:2848

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Chemical structure information

SMILES:
O=C1O[C@H]2[C@H]([C@@H]1C)CC[C@](C1=CCC(=C21)C)(C)O

InChI:
InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h5,9-10,13,17H,4,6-7H2,1-3H3/t9-,10-,13-,15-/m0/s1

InChIKey:
BXBCLQRTBGRRDB-MJVIGCOGSA-N

DeepSMILES:
O=CO[C@H][C@H][C@@H]5C))CC[C@]C=CCC=C%105)C)))))C)O

Functional groups:
CC1=C(C)C(C)=CC1, CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC3=CCC=C3C2O1

Scaffold Graph/Node level:
OC1CC2CCCC3CCCC3C2O1

Scaffold Graph level:
CC1CC2CCCC3CCCC3C2C1

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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: Sesquiterpenoids

NP Classifier Class: Guaiane sesquiterpenoids

NP-Likeness score: 3.064

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Chemical structure download