Ceratospongamide; trans,trans-form
AlkaPlorer ID: AK291957
Synonym: None
IUPAC Name: 8,24-dibenzyl-15-butan-2-yl-12-methyl-13-oxa-29-thia-6,9,16,22,25,30,31-heptazapentacyclo[25.2.1.111,14.02,6.018,22]hentriaconta-1(30),14(31),27-triene-7,10,17,23,26-pentone
Structure
SMILES: CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC2=CC=CC=C2)NC(=O)C2=CSC(=N2)C2CCCN2C(=O)C(CC2=CC=CC=C2)NC(=O)C2N=C1OC2C
InChI: InChI=1S/C41H49N7O6S/c1-4-24(2)33-38-46-34(25(3)54-38)37(51)43-29(22-27-15-9-6-10-16-27)41(53)48-20-12-18-32(48)39-44-30(23-55-39)35(49)42-28(21-26-13-7-5-8-14-26)40(52)47-19-11-17-31(47)36(50)45-33/h5-10,13-16,23-25,28-29,31-34H,4,11-12,17-22H2,1-3H3,(H,42,49)(H,43,51)(H,45,50)
InChIKey: JGJRLDPHAICOKU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceratodictyon spongiosum | Ceratodictyon | Lomentariaceae | Rhodymeniales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 767.953
TPSA？: 162.4
MolLogP？: 3.5965000000000016
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|