Accedinisine
AlkaPlorer ID: AK385984
Synonym: None
IUPAC Name: methyl (1R,12S,14S,15E,18S)-15-ethylidene-12-[(1S,12S,13S,14R,15E)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-7-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: C/C=C1/CN(C)[C@@H]2CC3=C(NC4=CC=CC=C34)[C@H](C3=CC=C4C(=C3)C3=C([C@@H]5C[C@H]6/C(=C\C)CN5[C@@H](C3)[C@H]6CO)N4C)C[C@H]1[C@@H]2C(=O)OC
InChI: InChI=1S/C41H48N4O3/c1-6-22-19-43(3)36-17-30-25-10-8-9-11-33(25)42-39(30)28(15-27(22)38(36)41(47)48-5)24-12-13-34-29(14-24)31-18-35-32(21-46)26-16-37(40(31)44(34)4)45(35)20-23(26)7-2/h6-14,26-28,32,35-38,42,46H,15-21H2,1-5H3/b22-6-,23-7-/t26-,27+,28-,32-,35-,36+,37-,38-/m0/s1
InChIKey: GDDCFKNGZKUROH-VYEPQLJCSA-N
Reference
Alkaloide in Tabernaemontana‐Arten, VII. Über einige Bisindolalkaloide aus Tabernaemontana accedens
PubChem CID: 163186251
LOTUS: LTS0042275
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana solanifolia | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 644.8600000000002
TPSA？: 73.73
MolLogP？: 6.259500000000007
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|