Summary

IMPPAT Phytochemical identifier: IMPHY009287

Phytochemical name: Norswertianolin

Synonymous chemical names:
norswertianolin

External chemical identifiers:
CID:5281659, ChEMBL:CHEMBL512072, ChEBI:7638, ZINC:ZINC000004098544

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2ccc(c3c2c(=O)c2c(o3)cc(cc2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(30-11)29-9-2-1-7(22)18-13(9)15(25)12-8(23)3-6(21)4-10(12)28-18/h1-4,11,14,16-17,19-24,26-27H,5H2/t11-,14-,16+,17-,19-/m1/s1

InChIKey:
MYWLBRTZOYHDOU-FJMCMGCSSA-N

DeepSMILES:
OC[C@H]O[C@@H]Occcccc6c=O)cco6)cccc6O)))O))))))))O))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, c=O, cO, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2cccc(OC3CCCCO3)c12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCC(OC3CCCCO3)C21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCC(CC3CCCCC3)C21

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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: 2.319

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Chemical structure download