(Q105298707)

English

methyl (1S,12R,13R,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

chemical compound

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instance of

type of chemical entity

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1 reference

methyl (12R,14R)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (1S,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carboxylate

1 reference

1 reference

322.168127944 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂N₂O₂

0 references

canonical SMILES

O=C(OC)C1C2C(=CC)CN3C(C=4NC=5C=CC=CC5C4CC31)C2

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isomeric SMILES

C/C=C1/CN2[C@H]3C[C@H]1[C@@H](C(=O)OC)[C@H]2Cc1c3[nH]c2ccccc12

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found in taxon

Tabernaemontana stapfiana

1 reference

stated in

Plant Anticancer Agents V: New Bisindole Alkaloids from Tabernaemontana johnstonii Stem Bark

Tabernaemontana pachysiphon

1 reference

stated in

Antimicrobially active alkaloids from Tabernaemontana pachysiphon

Identifiers

InChI

InChI=1S/C20H22N2O2/c1-3-11-10-22-16-9-14-12-6-4-5-7-15(12)21-19(14)17(22)8-13(11)18(16)20(23)24-2/h3-7,13,16-18,21H,8-10H2,1-2H3/b11-3-/t13-,16-,17+,18-/m1/s1

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InChIKey

VXRAIAAMNNTQES-WLDRUEIOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VXRAIAAMNNTQES-WLDRUEIOSA-N

(Q105298707)

methyl (1S,12R,13R,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

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