Summary

IMPPAT Phytochemical identifier: IMPHY008040

Phytochemical name: 20-Hydroxyrutacridone epoxide

Synonymous chemical names:
hydroxyrutacridone epoxide

External chemical identifiers:
CID:100916216, ChEBI:174562

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Chemical structure information

SMILES:
OCC1(CO1)C1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2

InChI:
InChI=1S/C19H17NO5/c1-20-12-5-3-2-4-10(12)18(23)16-13(22)7-14-11(17(16)20)6-15(25-14)19(8-21)9-24-19/h2-5,7,15,21-22H,6,8-9H2,1H3

InChIKey:
OJJHKXKXZMBCHJ-UHFFFAOYSA-N

DeepSMILES:
OCCCO3))COccC5)cccc6)O))c=O)ccn6C))cccc6

Functional groups:
CC1(C)CO1, CO, c=O, cO, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2c3c(ccc12)OC(C1CO1)C3

Scaffold Graph/Node level:
OC1C2CCCCC2NC2C3CC(C4CO4)OC3CCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CC(C4CC4)CC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 1.975

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Chemical structure download