Summary

IMPPAT Phytochemical identifier: IMPHY006403

Phytochemical name: Maesanin

Synonymous chemical names:
maesanin

External chemical identifiers:
CID:5384838, ZINC:ZINC000028541331, SureChEMBL:SCHEMBL5179329

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Chemical structure information

SMILES:
CCCC/C=CCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC

InChI:
InChI=1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h6-7,17,24H,3-5,8-16H2,1-2H3/b7-6-

InChIKey:
WVHQJXPRVZBEFP-SREVYHEPSA-N

DeepSMILES:
CCCC/C=CCCCCCCCCCC=CO)C=O)C=CC6=O))OC

Functional groups:
C/C=CC, COC1=CC(=O)C(O)=C(C)C1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)C=C1

Scaffold Graph/Node level:
OC1CCC(O)CC1

Scaffold Graph level:
CC1CCC(C)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Aromatic polyketides with side chains

NP-Likeness score: 1.89

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Chemical structure download