(Q105326521)

English

(S)-2-Ethyl-13-[[3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene]methyl]-12-azabicyclo[9.2.1]tetradeca-11(14),13(1)-diene

chemical compound

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instance of

type of chemical entity

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subclass of

2-ethyl-13-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene

1 reference

1 reference

391.262362676 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-ethyl-13-{[(5E)-4-methoxy-1'H-[2,2'-bipyrrol]-5-ylidene]methyl}-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-2-ethyl-13-{[(5E)-4-methoxy-1'H-[2,2'-bipyrrol]-5-ylidene]methyl}-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₃N₃O

0 references

canonical SMILES

N=1C(=CC=2NC3=CC2C(CC)CCCCCCCC3)C(OC)=CC1C4=CC=CN4

0 references

isomeric SMILES

CC[C@H]1CCCCCCCCc2cc1c(/C=C1\N=C(c3ccc[nH]3)C=C1OC)[nH]2

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found in taxon

Streptomyces spectabilis

1 reference

stated in

Potent in vitro antimalarial activity of metacycloprodigiosin isolated from Streptomyces spectabilis BCC 4785

Identifiers

InChI

InChI=1S/C25H33N3O/c1-3-18-11-8-6-4-5-7-9-12-19-15-20(18)22(27-19)16-24-25(29-2)17-23(28-24)21-13-10-14-26-21/h10,13-18,26-27H,3-9,11-12H2,1-2H3/b24-16-/t18-/m0/s1

0 references

InChIKey

XEPVVPTUOMXJRW-WSLHGYQHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

223770

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C25H33N3O/c1-3-18-11-8-6-4-5-7-9-12-19-15-20(18)22(27-19)16-24-25(29-2)17-23(28-24)21-13-10-14-26-21/h10,13-18,26-27H,3-9,11-12H2,1-2H3/b24-16-/t18-/m0/s1

(Q105326521)

(S)-2-Ethyl-13-[[3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene]methyl]-12-azabicyclo[9.2.1]tetradeca-11(14),13(1)-diene

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