Summary

IMPPAT Phytochemical identifier: IMPHY006241

Phytochemical name: Yingzhaosu A

Synonymous chemical names:
yingzhaosu a

External chemical identifiers:
CID:6443428, FDASRS:12M9EZ4ZWA, SureChEMBL:SCHEMBL1039173

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Chemical structure information

SMILES:
C[C@@H]1CC[C@H]2C[C@@H]1OO[C@]2(C)/C=C/[C@@H](C(O)(C)C)O

InChI:
InChI=1S/C15H26O4/c1-10-5-6-11-9-12(10)18-19-15(11,4)8-7-13(16)14(2,3)17/h7-8,10-13,16-17H,5-6,9H2,1-4H3/b8-7+/t10-,11+,12+,13+,15-/m1/s1

InChIKey:
CWGVNUWQWUADFX-IJOGBMPNSA-N

DeepSMILES:
C[C@@H]CC[C@H]C[C@@H]6OO[C@]6C)/C=C/[C@@H]CO)C)C))O

Functional groups:
C/C=C/C, CO, COOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2COOC(C1)C2

Scaffold Graph/Node level:
C1CC2COOC(C1)C2

Scaffold Graph level:
C1CC2CCCC(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dioxanes

ClassyFire Subclass: 1,2-dioxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Arteminisin

NP-Likeness score: 2.784

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Chemical structure download