Summary

IMPPAT Phytochemical identifier: IMPHY000123

Phytochemical name: 1,5-Dihydroxy-3-methoxy-2-prenylxanthone

Synonymous chemical names:
1,5-dihydroxy-2-(3-methylbut-2-enyl)-3-methoxyxanthone

External chemical identifiers:
CID:10449043, ChEMBL:CHEMBL1224332, ChEBI:175157, ZINC:ZINC000014819722, SureChEMBL:SCHEMBL2054113

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Chemical structure information

SMILES:
COc1cc2oc3c(O)cccc3c(=O)c2c(c1CC=C(C)C)O

InChI:
InChI=1S/C19H18O5/c1-10(2)7-8-11-14(23-3)9-15-16(17(11)21)18(22)12-5-4-6-13(20)19(12)24-15/h4-7,9,20-21H,8H2,1-3H3

InChIKey:
INFMYEMPDJIILH-UHFFFAOYSA-N

DeepSMILES:
COcccoccO)cccc6c=O)c%10cc%14CC=CC)C)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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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: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.958

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Chemical structure download