(Q105349992)

English

(12R)-3,4-Dihydro-3beta,10,11alpha,12-tetrahydroxy-4beta-methyl-12-(3-methylbutyl)-2H-3,11aalpha-methanonaphth[2,3-b]oxepine-2,5(11H)-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

2,4,13,16-Tetrahydroxy-12-methyl-16-(3-methylbutyl)-15-oxatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6,9-tetraene-11,14-dione

1 reference

based on heuristic

inferred from SMILES

mass

388.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,12R,13R,16S)-2,4,13,16-tetrahydroxy-12-methyl-16-(3-methylbutyl)-15-oxatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6,9-tetraene-11,14-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄O₇

0 references

canonical SMILES

O=C1OC23C(=CC=4C=CC=C(O)C4C2O)C(=O)C(C)C1(O)C3(O)CCC(C)C

0 references

isomeric SMILES

CC(C)CC[C@]1(O)[C@]23OC(=O)[C@@]1(O)[C@@H](C)C(=O)C2=Cc1cccc(O)c1[C@@H]3O

0 references

found in taxon

Streptomyces rishiriensis

3 references

stated in

Structures of rishirilides A and B, .ALPHA.2-macroglobulin inhibitors produced by Streptomyces rishiriensis OFR-1056

stated in

Structures of rishirilides A and B, .ALPHA.2-macroglobulin inhibitors produced by Streptomyces rishiriensis OFR-1056

stated in

Structures of rishirilides A and B, .ALPHA.2-macroglobulin inhibitors produced by Streptomyces rishiriensis OFR-1056

Identifiers

InChI

InChI=1S/C21H24O7/c1-10(2)7-8-19(26)20(27)11(3)16(23)13-9-12-5-4-6-14(22)15(12)17(24)21(13,19)28-18(20)25/h4-6,9-11,17,22,24,26-27H,7-8H2,1-3H3/t11-,17-,19+,20-,21-/m0/s1

0 references

InChIKey

YKZYUGMAWQCYJT-GCFICBGYSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

YKZYUGMAWQCYJT-GCFICBGYSA-N

ChEBI ID

224976

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H24O7/c1-10(2)7-8-19(26)20(27)11(3)16(23)13-9-12-5-4-6-14(22)15(12)17(24)21(13,19)28-18(20)25/h4-6,9-11,17,22,24,26-27H,7-8H2,1-3H3/t11-,17-,19+,20-,21-/m0/s1

1 reference

Natural Product Atlas ID

NPA021389

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YKZYUGMAWQCYJT-GCFICBGYSA-N

(Q105349992)

(12R)-3,4-Dihydro-3beta,10,11alpha,12-tetrahydroxy-4beta-methyl-12-(3-methylbutyl)-2H-3,11aalpha-methanonaphth[2,3-b]oxepine-2,5(11H)-dione

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