Summary

IMPPAT Phytochemical identifier: IMPHY009233

Phytochemical name: Saroaspidin B

Synonymous chemical names:
saroaspidin b

External chemical identifiers:
CID:3082647

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Chemical structure information

SMILES:
CCC(C(=O)c1c(O)c(CC2=C(O)C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)c(c(c1O)C)O)C

InChI:
InChI=1S/C25H32O8/c1-8-11(4)18(27)15-20(29)12(5)19(28)13(21(15)30)9-14-22(31)16(17(26)10(2)3)24(33)25(6,7)23(14)32/h10-11,28-32H,8-9H2,1-7H3

InChIKey:
XEWUKGNAGYTTTK-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)ccO)cCC=CO)CC=O)C=C6O))C=O)CC)C)))))C)C)))))ccc6O))C))O))))))C

Functional groups:
CC(=O)C1=C(O)C(C)=C(O)CC1=O, cC(C)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(Cc2ccccc2)=CC1

Scaffold Graph/Node level:
OC1CCC(CC2CCCCC2)CC1

Scaffold Graph level:
CC1CCC(CC2CCCCC2)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: Phloroglucinols

NP Classifier Class: Dimeric phloroglucinols

NP-Likeness score: 1.944

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Chemical structure download