Summary

IMPPAT Phytochemical identifier: IMPHY007404

Phytochemical name: Artabin

Synonymous chemical names:
artabin

External chemical identifiers:
CID:90471461

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Chemical structure information

SMILES:
C/C/1=C/C[C@H](O)/C(=C[C@@H]2[C@@H](CC1)[C@@H](C)C(=O)O2)/C

InChI:
InChI=1S/C15H22O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,8,11-14,16H,4,6-7H2,1-3H3/b9-5-,10-8-/t11-,12+,13+,14-/m1/s1

InChIKey:
RLHPCSSGTQNSJN-DCOVWINISA-N

DeepSMILES:
C/C=C/C[C@H]O)/C=C[C@@H][C@@H]CC%10))[C@@H]C)C=O)O5))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC=CCCC=CC2O1

Scaffold Graph/Node level:
OC1CC2CCCCCCCCC2O1

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.245

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Chemical structure download