Summary

IMPPAT Phytochemical identifier: IMPHY010745

Phytochemical name: Qinghaosu V

Synonymous chemical names:
qinghaosu v

Chemical structure information

SMILES:
CC1CCC2C3C1CCC(C3OC(=O)C2=C)(C)O

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

InChIKey:
YDQMBNMUQASHKN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CCCC6OC=O)C%10=C)))))C)O

Functional groups:
C=C(C)C(=O)OC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2CCCC3CCCC1C32

Scaffold Graph/Node level:
CC1C(O)OC2CCCC3CCCC1C32

Scaffold Graph level:
CC1CC2CCCC3CCCC(C1C)C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Delta valerolactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Guaiane sesquiterpenoids

NP-Likeness score: 3.403

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Chemical structure download