Summary

IMPPAT Phytochemical identifier: IMPHY008185

Phytochemical name: Manske alkaloid F 38

Synonymous chemical names:
fumarofine, fumarostelline

External chemical identifiers:
CID:632772

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Chemical structure information

SMILES:
COc1cc2CCN(C3C(c2cc1O)(O)C(=O)c1c3ccc2c1OCO2)C

InChI:
InChI=1S/C20H19NO6/c1-21-6-5-10-7-15(25-2)13(22)8-12(10)20(24)18(21)11-3-4-14-17(27-9-26-14)16(11)19(20)23/h3-4,7-8,18,22,24H,5-6,9H2,1-2H3

InChIKey:
BJGPRDJBNLOGMI-UHFFFAOYSA-N

DeepSMILES:
COcccCCNCCc7cc%11O))))O)C=O)cc5cccc6OCO5))))))))))))C

Functional groups:
CN(C)C, CO, c1cOCO1, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2c(ccc3c2OCO3)C2NCCc3ccccc3C12

Scaffold Graph/Node level:
OC1C2C3CCCCC3CCNC2C2CCC3OCOC3C12

Scaffold Graph level:
CC1C2C3CCCCC3CCCC2C2CCC3CCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzazepines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 1.487

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Chemical structure download