(Q77368691)

English

NG-391

bioactive natural product

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instance of

type of chemical entity

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subclass of

methyl (9E)-11-[2,4-dihydroxy-4-(2-hydroxyethyl)-6-oxa-3-azabicyclo[3.1.0]hex-2-en-1-yl]-2-ethylidene-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate

1 reference

based on heuristic

inferred from SMILES

Methyl 2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate

1 reference

based on heuristic

inferred from SMILES

mass

417.178752204 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2Z,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4R,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate

1 reference

based on heuristic

inferred from InChIKey

methyl (2E,3E,5E,7Z,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2Z,3E,5E,7Z,9E)-2-ethylidene-11-[(1R,4R,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₇NO₇

0 references

canonical SMILES

CC=C(C=C(C)C=CC=CC=C(C)C(=O)C12OC1C(O)(CCO)NC2=O)C(=O)OC

0 references

isomeric SMILES

C/C=C(\C=C(/C)\C=C\C=C\C=C(/C)\C(=O)[C@@]12[C@@H](O1)[C@](NC2=O)(CCO)O)/C(=O)OC

0 references

found in taxon

Fusarium

1 reference

stated in

Lucilactaene, a new cell cycle inhibitor in p53-transfected cancer cells, produced by a Fusarium sp.

Metarhizium anisopliae

1 reference

stated in

Production of mutagenic metabolites by Metarhizium anisopliae

Identifiers

InChI

InChI=1S/C22H27NO7/c1-5-16(18(26)29-4)13-14(2)9-7-6-8-10-15(3)17(25)22-19(30-22)21(28,11-12-24)23-20(22)27/h5-10,13,19,24,28H,11-12H2,1-4H3,(H,23,27)/b8-6+,9-7+,14-13+,15-10+,16-5+/t19-,21-,22-/m0/s1

0 references

InChIKey

OHWILISHWFHITP-OCKBFZBYSA-N

2 references

language of work or name

English

stated in

Natural Product Atlas

PubChem CID

11165983

language of work or name

2 references

language of work or name

English

matched by identifier from

InChIKey

OHWILISHWFHITP-OCKBFZBYSA-N

ChEBI ID

202020

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H27NO7/c1-5-16(18(26)29-4)13-14(2)9-7-6-8-10-15(3)17(25)22-19(30-22)21(28,11-12-24)23-20(22)27/h5-10,13,19,24,28H,11-12H2,1-4H3,(H,23,27)/b8-6+,9-7+,14-13+,15-10+,16-5+/t19-,21-,22-/m0/s1

1 reference

Natural Product Atlas ID

NPA004762

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OHWILISHWFHITP-OCKBFZBYSA-N

(Q77368691)

NG-391

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