Summary

IMPPAT Phytochemical identifier: IMPHY004413

Phytochemical name: Norrubrofusarin

Synonymous chemical names:
nor-rubrofusarin, norrubrofusarin

External chemical identifiers:
CID:5320218

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)cc1c(c2O)c(=O)cc(o1)C

InChI:
InChI=1S/C14H10O5/c1-6-2-9(16)13-11(19-6)4-7-3-8(15)5-10(17)12(7)14(13)18/h2-5,15,17-18H,1H3

InChIKey:
RVRLLYKHCMHGKV-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)cccc6O))c=O)cco6)C

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc2cc3ccccc3cc12

Scaffold Graph/Node level:
OC1CCOC2CC3CCCCC3CC12

Scaffold Graph level:
CC1CCCC2CC3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

ClassyFire Subclass: Naphthopyranones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes, Chromanes

NP Classifier Class: Chromones, Naphthalenes and derivatives

NP-Likeness score: 1.984

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Chemical structure download