(Q104917733)

English

21-Hydroxy-3-(4-hydroxyphenyl)-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-4H-1,16-etheno-5,15-(propanoazenoethanylylidene)furo[3,4-l][1,5,10]triazacyclohexadecin-4-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(11S,17S,18R)-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-triene-19,24-dione

1 reference

1 reference

4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-

1 reference

based on heuristic

inferred from SMILES

mass

492.273655632 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₆N₄O₄

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canonical SMILES

O=C1CC2NCCCNCCCCN(CCCN1)C(=O)C1c3cc2ccc3OC1c1ccc(O)cc1

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isomeric SMILES

O=C1C[C@H]2NCCCNCCCCN(CCCN1)C(=O)[C@H]1c3cc2ccc3O[C@@H]1c1ccc(O)cc1

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found in taxon

Aphelandra flava

1 reference

stated in

Two macrocyclic spermine alkaloids from Aphelandra fuscopunctata (Acanthaceae)

Aphelandra squarrosa

1 reference

stated in

Dihydroxyverbacine is the terminal precursor in the biosynthesis of aphelandrine and orantine

Aphelandra tetragona

4 references

stated in

Accumulation and metabolism of the spermine alkaloid aphelandrine in roots of Aphelandra tetragona

stated in

Biosynthesis of the Spermine Alkaloid Aphelandrine

stated in

New Spermine Alkaloids fromAphelandra tetragona (VAHL) NEES

stated in

Spermine and spermidine hydroxycinnamoyl transferases in Aphelandra tetragona

Premna serratifolia

1 reference

stated in

Major Alkaloid and Flavonoid of Premna integrifolia

Aphelandra arborea

4 references

stated in

New Spermine Alkaloids fromAphelandra tetragona (VAHL) NEES

stated in

Accumulation and metabolism of the spermine alkaloid aphelandrine in roots of Aphelandra tetragona

stated in

Spermine and spermidine hydroxycinnamoyl transferases in Aphelandra tetragona

stated in

Biosynthesis of the Spermine Alkaloid Aphelandrine

Identifiers

InChI

InChI=1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)/t23-,26+,27-/m1/s1

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InChIKey

ASCIWXOCZAWSON-DURWQBQJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ASCIWXOCZAWSON-DURWQBQJSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ASCIWXOCZAWSON-DURWQBQJSA-N

(Q104917733)

21-Hydroxy-3-(4-hydroxyphenyl)-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-4H-1,16-etheno-5,15-(propanoazenoethanylylidene)furo[3,4-l][1,5,10]triazacyclohexadecin-4-one

Statements

Identifiers

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