Summary

IMPPAT Phytochemical identifier: IMPHY013645

Phytochemical name: Excelsaoctaphenol

Synonymous chemical names:
excelsaoctaphenol

External chemical identifiers:
CID:102470350, ZINC:ZINC000238738018

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Chemical structure information

SMILES:
C/C(=CCc1c(O)cc(cc1O)/C=C/c1ccc(cc1O)O)/CCCC/C(=C/Cc1c(O)cc(cc1O)/C=C/c1ccc(cc1O)O)/C

InChI:
InChI=1S/C40H42O8/c1-25(7-17-33-37(45)19-27(20-38(33)46)9-11-29-13-15-31(41)23-35(29)43)5-3-4-6-26(2)8-18-34-39(47)21-28(22-40(34)48)10-12-30-14-16-32(42)24-36(30)44/h7-16,19-24,41-48H,3-6,17-18H2,1-2H3/b11-9+,12-10+,25-7+,26-8+

InChIKey:
QXZYEWXVQKXLIF-XNGBTHPKSA-N

DeepSMILES:
C/C=CCccO)cccc6O)))/C=C/cccccc6O)))O)))))))))))))/CCCC/C=C/CccO)cccc6O)))/C=C/cccccc6O)))O)))))))))))))/C

Functional groups:
C/C=C(/C)C, c/C=C/c, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=CCc1ccc(C=Cc2ccccc2)cc1)CCCCC=CCc1ccc(C=Cc2ccccc2)cc1

Scaffold Graph/Node level:
C(CCCCCC1CCC(CCC2CCCCC2)CC1)CCCCC1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C(CCCCCC1CCC(CCC2CCCCC2)CC1)CCCCC1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 0.814

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Chemical structure download