Summary

Molecular formula: C26H22O9
SMILES: COc1cc(/C=C/c2cc(O)c(c(=O)o2)[C@H]2C(=O)C=C(O[C@@H]2c2ccc(c(c2)O)O)C)ccc1O
InChI: InChI=1S/C26H22O9/c1-13-9-20(30)23(25(34-13)15-5-8-17(27)19(29)11-15)24-21(31)12-16(35-26(24)32)6-3-14-4-7-18(28)22(10-14)33-2/h3-12,23,25,27-29,31H,1-2H3/b6-3+/t23-,25-/m1/s1
InChIKey: LDTVSIZNVSZWDV-DSJLGJJVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=COC(c2ccccc2)C1c1ccc(C=Cc2ccccc2)oc1=O

Scaffold Graph/Node level:
OC1CCOC(C2CCCCC2)C1C1CCC(CCC2CCCCC2)OC1O

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CCC1C1C(C)CCCC1C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Phenols
Sub class: Methoxyphenols

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Synonymous chemical names:
methyldavallialactone

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External chemical identifiers:
CID_54726724; CHEMSPIDER_23269610; ZINC_ZINC000013432704

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Chemical structure download