Summary

IMPPAT Phytochemical identifier: IMPHY010804

Phytochemical name: Spiranthoquinone

Synonymous chemical names:
spiranthoquinone

Chemical structure information

SMILES:
COC1=CC(=O)C2=C(C1=O)CCc1c2ccc(c1CC=C(C)C)O

InChI:
InChI=1S/C20H20O4/c1-11(2)4-5-13-12-6-7-15-19(14(12)8-9-16(13)21)17(22)10-18(24-3)20(15)23/h4,8-10,21H,5-7H2,1-3H3

InChIKey:
OOVAVLJIUMKKQS-UHFFFAOYSA-N

DeepSMILES:
COC=CC=O)C=CC6=O))CCcc6cccc6CC=CC)C)))))O

Functional groups:
CC=C(C)C, cC1=C(C)C(=O)C(OC)=CC1=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)C2=C1CCc1ccccc12

Scaffold Graph/Node level:
OC1CCC(O)C2C1CCC1CCCCC12

Scaffold Graph level:
CC1CCC(C)C2C1CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Hydrophenanthrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 2.361

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Chemical structure download