(Q105324694)

English

(10R)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-10-[(9S)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-6-methyl-10H-anthracen-9-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-(3,7-dimethylocta-2,6-dienoxy)-10-[2-(3,7-dimethylocta-2,6-dienoxy)-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-6-methyl-10H-anthracen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

782.381868688 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₀H₅₄O₈

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canonical SMILES

O=C1C=2C(O)=CC(OCC=C(C)CCC=C(C)C)=CC2C(C3=CC(=CC(O)=C13)C)C4C=5C=C(OCC=C(C)CCC=C(C)C)C=C(O)C5C(=O)C6=C(O)C=C(C=C64)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OC/C=C(\C)CCC=C(C)C)cc31)c1cc(C)cc(O)c1C2=O

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found in taxon

Cratoxylum formosum

1 reference

stated in

Quinonoids from the barks of Cratoxylum formosum subsp.pruniflorum

Psorospermum febrifugum

2 references

stated in

Prenylated bianthrones and vismione F from Psorospermum febrifugum

stated in

Two new antimicrobial dimeric compounds: febrifuquinone, a vismione-anthraquinone coupled pigment and adamabianthrone, from two Psorospermum species

Psorospermum tenuifolium

1 reference

stated in

New metabolites from Psorospermum tenuifolium☆

Vismia guineensis

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stated in

New prenylated anthraquinones and xanthones from Vismia guineensis

Psorospermum orientale

1 reference

stated in

Anthranoid compounds with antiprotozoal activity from Vismia orientalis

Psorospermum guineense

1 reference

stated in

New prenylated anthraquinones and xanthones from Vismia guineensis

Identifiers

InChI

InChI=1S/C50H54O8/c1-27(2)11-9-13-29(5)15-17-57-33-23-37-43(35-19-31(7)21-39(51)45(35)49(55)47(37)41(53)25-33)44-36-20-32(8)22-40(52)46(36)50(56)48-38(44)24-34(26-42(48)54)58-18-16-30(6)14-10-12-28(3)4/h11-12,15-16,19-26,43-44,51-54H,9-10,13-14,17-18H2,1-8H3/b29-15+,30-16+/t43-,44+

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InChIKey

XBUDJYQWKSZGTP-BKQXBYFJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBUDJYQWKSZGTP-BKQXBYFJSA-N

1 reference

(Q105324694)

(10R)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-10-[(9S)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-6-methyl-10H-anthracen-9-one

Statements

Identifiers

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