(Q104400388)

English

Coccinone B

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-(3,4-Dihydroxybenzoyl)-3-(3-hydroxy-3-methylbut-1-enyl)-4,4,10,10-tetramethyl-9,11-bis(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione

1 reference

based on heuristic

inferred from SMILES

mass

618.35565394 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R)-2,2,7,7-Tetramethyl-3beta-[(1E)-3-methyl-3-hydroxy-1-butenyl]-6alpha,8-bis(3-methyl-2-butenyl)-10-(3,4-dihydroxybenzoyl)-4aalpha,8alpha-methano-3,4,4a,5,6,7-hexahydro-2H-cycloocta[b]pyran-9,11(8H)-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₅₀O₇

0 references

canonical SMILES

O=C(C1=CC=C(O)C(O)=C1)C=2C(=O)C3(C(=O)C4(C2OC(C)(C)C(C=CC(O)(C)C)C4)CC(CC=C(C)C)C3(C)C)CC=C(C)C

0 references

isomeric SMILES

CC(C)=CC[C@@H]1C[C@]23C[C@H](/C=C/C(C)(C)O)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C

0 references

found in taxon

Moronobea coccinea

1 reference

stated in

Antiplasmodial benzophenones from the trunk latex of Moronobea coccinea (Clusiaceae).

Identifiers

InChI

InChI=1S/C38H50O7/c1-22(2)11-13-25-20-37-21-26(16-17-34(5,6)44)36(9,10)45-32(37)29(30(41)24-12-14-27(39)28(40)19-24)31(42)38(33(37)43,35(25,7)8)18-15-23(3)4/h11-12,14-17,19,25-26,39-40,44H,13,18,20-21H2,1-10H3/b17-16+/t25-,26+,37+,38+/m1/s1

0 references

InChIKey

JLAFCMSSCDCWHQ-RDIBSORHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JLAFCMSSCDCWHQ-RDIBSORHSA-N

1 reference

(Q104400388)

Coccinone B

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