(Q105249794)

English

5-hydroxy-6-(3-methylbut-2-en-1-yl)-2-[(1E)-pent-1-en-1-yl]-1-benzofuran-4-carbaldehyde

chemical compound

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instance of

type of chemical entity

0 references

subclass of

biogenic benzofuran

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mass

298.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₃

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canonical SMILES

O=CC=1C(O)=C(C=C2OC(C=CCCC)=CC21)CC=C(C)C

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isomeric SMILES

CCC/C=C/c1cc2c(C=O)c(O)c(CC=C(C)C)cc2o1

1 reference

3 references

Chaetopyranin, a benzaldehyde derivative, and other related metabolites from Chaetomium globosum, an endophytic fungus derived from the marine red alga Polysiphonia urceolata.

stated in

Chaetopyranin, a benzaldehyde derivative, and other related metabolites from Chaetomium globosum, an endophytic fungus derived from the marine red alga Polysiphonia urceolata.

stated in

Chaetopyranin, a benzaldehyde derivative, and other related metabolites from Chaetomium globosum, an endophytic fungus derived from the marine red alga Polysiphonia urceolata.

Aspergillus ruber

2 references

stated in

Benzaldehyde derivatives from Eurotium rubrum, an endophytic fungus derived from the mangrove plant Hibiscus tiliaceus

stated in

Benzaldehyde derivatives from Eurotium rubrum, an endophytic fungus derived from the mangrove plant Hibiscus tiliaceus

Aspergillus repens

1 reference

stated in

Benzyl derivatives with in vitro binding affinity for human opioid and cannabinoid receptors from the fungus Eurotium repens

Polysiphonia urceolata

1 reference

stated in

Chaetopyranin, a benzaldehyde derivative, and other related metabolites from Chaetomium globosum, an endophytic fungus derived from the marine red alga Polysiphonia urceolata.

Polysiphonia stricta

1 reference

stated in

Chaetopyranin, a benzaldehyde derivative, and other related metabolites from Chaetomium globosum, an endophytic fungus derived from the marine red alga Polysiphonia urceolata.

Identifiers

InChI

InChI=1S/C19H22O3/c1-4-5-6-7-15-11-16-17(12-20)19(21)14(9-8-13(2)3)10-18(16)22-15/h6-8,10-12,21H,4-5,9H2,1-3H3/b7-6+

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InChIKey

SBYYFNVKZGJIPR-VOTSOKGWSA-N

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CAS Registry Number

916602-30-7

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SBYYFNVKZGJIPR-VOTSOKGWSA-N

ChEBI ID

68701

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H22O3/c1-4-5-6-7-15-11-16-17(12-20)19(21)14(9-8-13(2)3)10-18(16)22-15/h6-8,10-12,21H,4-5,9H2,1-3H3/b7-6+

68192

reason for deprecated rank

deprecated identifier value

0 references

1 reference

1 reference

matched by identifier from

InChIKey

SBYYFNVKZGJIPR-VOTSOKGWSA-N

KNApSAcK ID

C00029427

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SBYYFNVKZGJIPR-VOTSOKGWSA-N

(Q105249794)

5-hydroxy-6-(3-methylbut-2-en-1-yl)-2-[(1E)-pent-1-en-1-yl]-1-benzofuran-4-carbaldehyde

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