Summary

IMPPAT Phytochemical identifier: IMPHY004772

Phytochemical name: Artonin M

Synonymous chemical names:
artonin m

External chemical identifiers:
CID:44258661

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Chemical structure information

SMILES:
CC(=CCCC1(C)Oc2c3C1Cc1c(-c3c(cc2O)O)oc2c(c1=O)c(O)c1c(c2)OC(C=C1)(C)C)C

InChI:
InChI=1S/C30H30O7/c1-14(2)7-6-9-30(5)17-11-16-26(34)24-21(13-20-15(25(24)33)8-10-29(3,4)36-20)35-27(16)23-18(31)12-19(32)28(37-30)22(17)23/h7-8,10,12-13,17,31-33H,6,9,11H2,1-5H3

InChIKey:
AKJMHCXQYHWXIY-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC)OccC5Ccc-c6ccc%10O)))O)))occc6=O))cO)ccc6)OCC=C6))C)C))))))))))))))))))))C

Functional groups:
CC=C(C)C, c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2c(oc3cc4c(cc13)C=CCO4)-c1cccc3c1C(CO3)C2

Scaffold Graph/Node level:
OC1C2CC3CCCOC3CC2OC2C1CC1COC3CCCC2C13

Scaffold Graph level:
CC1C2CC3CCCCC3CC2CC2C1CC1CCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 3.087

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Chemical structure download