Alasmontamine A
AlkaPlorer ID: AK283752
Synonym: None
IUPAC Name: methyl 21-(19',24'-dihydroxy-10-methoxycarbonylspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-20-ylidene)-19',24'-dihydroxyspiro[15-oxa-8-aza-19-azoniahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9,19-pentaene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CC(=C2C=[N+]4CC5(CC6CC78CCOC7CCN7CCC9(C%10=C(C(O)=CC=C%10)N(C5)C69O)C78)C5OCCC56CC(C(=O)OC)=C5NC7=CC=CC=C7C25C46)N2CC4(CC5CC67CCOC6CCN6CCC8(C9=C(C(O)=CC=C9)N(C4)C58O)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C84H90N8O12/c1-99-65(95)47-37-77-23-31-104-72(77)74(34-46-36-76-22-30-102-60(76)18-26-88-28-20-81(69(76)88)52-12-8-16-58(94)62(52)92(44-74)84(46,81)98)42-90-56(39-79(67(77)90)49-9-3-5-13-54(49)85-63(47)79)53-40-89-41-73(71-78(24-32-103-71)38-48(66(96)100-2)64-82(53,70(78)89)50-10-4-6-14-55(50)86-64)33-45-35-75-21-29-101-59(75)17-25-87-27-19-80(68(75)87)51-11-7-15-57(93)61(51)91(43-73)83(45,80)97/h3-16,40,45-46,59-60,67-72,97-98H,17-39,41-44H2,1-2H3,(H3-,85,86,93,94,95,96)/p+1
InChIKey: ZMWUJSYKQWHIJZ-UHFFFAOYSA-O
Reference
CAS: 1198080-30-6
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana elegans | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1404.6960000000004
TPSA？: 213.71
MolLogP？: 7.3777000000000115
Number of H-Donors: 6
Number of H-Acceptors: 19
RingCount: 26
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|