(Q105310944)

English

4-O-Demethylmanassantin B

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-[2-[4-[5-[4-[1-(1,3-Benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-hydroxypropyl]-2-methoxyphenol

1 reference

based on heuristic

inferred from SMILES

mass

702.304012292 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-[(1R,2R)-2-[4-[(2S,3S,4R,5R)-5-[4-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-hydroxypropyl]-2-methoxyphenol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-[(1R,2S)-2-[4-[(2S,3S,4S,5S)-5-[4-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-hydroxypropyl]-2-methoxyphenol

1 reference

based on heuristic

inferred from InChI

4-[(1R,2S)-2-[4-[(2S,3R,4R,5S)-5-[4-[(1R,2S)-1-(1,3-benzodioxol-5-yl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]-1-hydroxypropyl]-2-methoxyphenol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₆O₁₁

0 references

canonical SMILES

OC1=CC=C(C=C1OC)C(O)C(OC2=CC=C(C=C2OC)C3OC(C4=CC=C(OC(C)C(O)C5=CC=C6OCOC6=C5)C(OC)=C4)C(C)C3C)C

0 references

isomeric SMILES

COc1cc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)[C@H](O)c5ccc6c(c5)OCO6)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)ccc1O

0 references

found in taxon

Saururus cernuus

1 reference

stated in

Molecular-targeted antitumor agents: the Saururus cernuus dineolignans manassantin B and 4-O-demethylmanassantin B are potent inhibitors of hypoxia-activated HIF-1.

Saururus chinensis

1 reference

stated in

Potential antiviral lignans from the roots of Saururus chinensis with activity against Epstein-Barr virus lytic replication.

Identifiers

InChI

InChI=1S/C40H46O11/c1-21-22(2)40(28-11-15-32(35(19-28)46-7)50-24(4)38(43)26-9-13-30-36(17-26)48-20-47-30)51-39(21)27-10-14-31(34(18-27)45-6)49-23(3)37(42)25-8-12-29(41)33(16-25)44-5/h8-19,21-24,37-43H,20H2,1-7H3/t21-,22-,23-,24-,37+,38+,39+,40+/m1/s1

0 references

InChIKey

WQSGIPAMJXWYGZ-NPIUFYBCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WQSGIPAMJXWYGZ-NPIUFYBCSA-N

1 reference

(Q105310944)

4-O-Demethylmanassantin B

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Identifiers

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