Pseudostellarin E
AlkaPlorer ID: AK030136
Synonym: ''
IUPAC Name: (1S,7S,10S,19S,22S,25S,28S)-28-benzyl-10,25-bis[(2S)-butan-2-yl]-22-propan-2-yl-3,9,12,15,21,24,27,30,33-nonazatetracyclo[31.3.0.03,7.015,19]hexatriacontane-2,8,11,14,20,23,26,29,32-nonone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CN=C(O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C45H67N9O9/c1-7-27(5)37-42(60)47-25-34(55)52-20-12-17-31(52)40(58)49-36(26(3)4)43(61)51-38(28(6)8-2)44(62)48-30(23-29-15-10-9-11-16-29)39(57)46-24-35(56)53-21-14-19-33(53)45(63)54-22-13-18-32(54)41(59)50-37/h9-11,15-16,26-28,30-33,36-38H,7-8,12-14,17-25H2,1-6H3,(H,46,57)(H,47,60)(H,48,62)(H,49,58)(H,50,59)(H,51,61)/t27-,28-,30-,31-,32-,33-,36-,37-,38-/m0/s1
InChIKey: BBGXSHKSWOOZLV-KZTJGHBHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudostellaria heterophylla | Pseudostellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 878.0849999999997
TPSA？: 256.47
MolLogP？: 5.17730000000001
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|