Summary

IMPPAT Phytochemical identifier: IMPHY009910

Phytochemical name: 8beta-Hydroxycoronopilin

Synonymous chemical names:
8beta-hydroxycoronopilin, 8β-hydroxycoronopilin

External chemical identifiers:
CID:102176995

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Chemical structure information

SMILES:
O[C@@H]1C[C@@]2([C@](C1=O)(C)[C@@H]1OC(=O)C(=C)[C@@H]1CC[C@@H]2C)O

InChI:
InChI=1S/C15H20O5/c1-7-4-5-9-8(2)13(18)20-12(9)14(3)11(17)10(16)6-15(7,14)19/h7,9-10,12,16,19H,2,4-6H2,1,3H3/t7-,9-,10+,12+,14-,15+/m0/s1

InChIKey:
GTJROBKZCHTNPV-KSWRHCHDSA-N

DeepSMILES:
O[C@@H]C[C@@][C@]C5=O))C)[C@@H]OC=O)C=C)[C@@H]5CC[C@@H]%10C))))))))))O

Functional groups:
C=C1CCOC1=O, CC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C1CCCC1CCC(=O)C12

Scaffold Graph/Node level:
CC1C(O)OC2C1CCCC1CCC(O)C12

Scaffold Graph level:
CC1CC2C(CCCC3CCC(C)C32)C1C

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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: 3.286

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Chemical structure download