(Q105122955)

English

Macrocarpine B

chemical compound

In more languages

Statements

type of chemical entity

0 references

(3,16,20-Trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl)methanol

1 reference

based on heuristic

inferred from SMILES

340.215078136 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,12S,13R,16S,17R,18S)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methanol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,12S,13R,16S,17S,18S)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methanol

1 reference

based on heuristic

inferred from InChI

[(1R,12R,13R,16R,17R,18R)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methanol

1 reference

based on heuristic

inferred from InChI

[(1S,12S,13R,16S,17R,18R)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methanol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈N₂O₂

0 references

canonical SMILES

OCC1C(OCC2C3N(C)C(C4=C(C=5C=CC=CC5N4C)C3)CC12)C

0 references

isomeric SMILES

C[C@@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@H]1CO)N3C

0 references

Alstonia macrophylla

5 references

New indole alkaloids from Alstonia macrophylla

New indole alkaloids from Alstonia macrophylla

Unusual spirocyclic macroline alkaloids, nitrogenous derivatives, and a cytotoxic bisindole from Alstonia

New indole alkaloids from Alstonia macrophylla

Alstoniaphyllines A-C, unusual nitrogenous derivatives from the bark of Alstonia macrophylla

Alstonia angustifolia

2 references

Oxidized derivatives of macroline, sarpagine, and pleiocarpamine alkaloids from Alstonia angustifolia

Alkaloids from Alstonia angustifolia

Identifiers

InChI=1S/C21H28N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,12,14,16-17,19-20,24H,8-11H2,1-3H3/t12-,14-,16-,17+,19-,20-/m0/s1

0 references

IYRQKBCVJYGVMJ-YCFPOQHFSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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