(Q77420491)

English

1,4-dimethoxy-3-(3'-hydroxy-3'-methyl-1'-tetralon e)-1(3H)-isobenzofuran

bioactive natural product

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Statements

instance of

type of chemical entity

0 references

subclass of

7-(3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one

1 reference

based on heuristic

inferred from SMILES

(3R)-7-(3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one

1 reference

based on heuristic

inferred from SMILES

mass

354.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R)-7-[(1S,3R)-3,7-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one

1 reference

based on heuristic

inferred from InChIKey

3beta-Methyl-3-hydroxy-7-(3beta,7-dimethoxy-1,3-dihydroisobenzofuran-1beta-yl)tetralin-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂O₅

0 references

canonical SMILES

O=C1C2=CC(=CC=C2CC(O)(C)C1)C3OC(OC)C=4C=CC=C(OC)C43

0 references

isomeric SMILES

C[C@]1(CC2=C(C=C(C=C2)[C@@H]3C4=C(C=CC=C4OC)[C@H](O3)OC)C(=O)C1)O

0 references

found in taxon

Streptomyces

2 references

stated in

A new isobenzofuranone derivative from a marine Streptomyces sp.

stated in

Angucyclines and Angucyclinones from Streptomyces sp. CB01913 Featuring C-Ring Cleavage and Expansion

Identifiers

InChI

InChI=1S/C21H22O5/c1-21(23)10-13-8-7-12(9-15(13)16(22)11-21)19-18-14(20(25-3)26-19)5-4-6-17(18)24-2/h4-9,19-20,23H,10-11H2,1-3H3/t19-,20+,21-/m1/s1

0 references

InChIKey

XDJZKGNJUWDOAH-QHAWAJNXSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

122210802

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

XDJZKGNJUWDOAH-QHAWAJNXSA-N

ChEBI ID

204853

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H22O5/c1-21(23)10-13-8-7-12(9-15(13)16(22)11-21)19-18-14(20(25-3)26-19)5-4-6-17(18)24-2/h4-9,19-20,23H,10-11H2,1-3H3/t19-,20+,21-/m1/s1

1 reference

Natural Product Atlas ID

NPA008030

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XDJZKGNJUWDOAH-QHAWAJNXSA-N

(Q77420491)

1,4-dimethoxy-3-(3'-hydroxy-3'-methyl-1'-tetralon e)-1(3H)-isobenzofuran

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