Kulolide 1
AlkaPlorer ID: AK053148
Synonym: ''
IUPAC Name: (3R,6S,9R,13S,16R,19R,22R)-3-benzyl-7,12,12,16-tetramethyl-13-pent-4-ynyl-6,9,19-tri(propan-2-yl)-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Structure
SMILES: C#CCCC[C@@H]1OC(=O)[C@@H](C)N=C(O)[C@@H](C(C)C)N=C(O)[C@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)N=C(O)C1(C)C
InChI: InChI=1S/C43H63N5O9/c1-12-13-15-22-32-43(9,10)42(55)46-34(26(4)5)39(52)47(11)35(27(6)7)41(54)56-31(24-29-19-16-14-17-20-29)38(51)48-23-18-21-30(48)36(49)45-33(25(2)3)37(50)44-28(8)40(53)57-32/h1,14,16-17,19-20,25-28,30-35H,13,15,18,21-24H2,2-11H3,(H,44,50)(H,45,49)(H,46,55)/t28-,30-,31-,32+,33-,34-,35+/m1/s1
InChIKey: UDYHMKFAZLLWNB-GUKBXDTPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Philinopsis speciosa | Philinopsis | Aglajidae | Cephalaspidea | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 794.003
TPSA？: 190.99
MolLogP？: 5.677200000000006
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|