Summary

IMPPAT Phytochemical identifier: IMPHY002781

Phytochemical name: 4alpha-H-Confertin

Synonymous chemical names:
4alpha-h-confertin

External chemical identifiers:
CID:101316926, ZINC:ZINC000238757567

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Chemical structure information

SMILES:
C=C1C(=O)O[C@H]2[C@@H]1C[C@]1(C)[C@H](O)CC[C@H]1[C@H](C2)C

InChI:
InChI=1S/C15H22O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10+,11-,12+,13+,15-/m0/s1

InChIKey:
BOPADYWRUULRBD-VFZWUETDSA-N

DeepSMILES:
C=CC=O)O[C@H][C@@H]5C[C@]C)[C@H]O)CC[C@H]5[C@H]C%10)C

Functional groups:
C=C1CCOC1=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2CCC3CCCC3CC12

Scaffold Graph/Node level:
CC1C(O)OC2CCC3CCCC3CC21

Scaffold Graph level:
CC1CC2CCC3CCCC3CC2C1C

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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: Pseudoguaiane sesquiterpenoids

NP-Likeness score: 3.554

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Chemical structure download