Pseudostellarin F
AlkaPlorer ID: AK039651
Synonym: ''
IUPAC Name: (3S,9S,12S,21S,24S,27S)-9,24-bis[(2S)-butan-2-yl]-21-(hydroxymethyl)-12-[(4-hydroxyphenyl)methyl]-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontane-2,8,11,14,17,20,23,26-octone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)CN=C(O)CN=C(O)[C@H](CO)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C38H56N8O10/c1-5-21(3)31-36(54)42-26(20-47)33(51)40-18-29(49)39-19-30(50)41-25(17-23-11-13-24(48)14-12-23)34(52)44-32(22(4)6-2)38(56)46-16-8-10-28(46)37(55)45-15-7-9-27(45)35(53)43-31/h11-14,21-22,25-28,31-32,47-48H,5-10,15-20H2,1-4H3,(H,39,49)(H,40,51)(H,41,50)(H,42,54)(H,43,53)(H,44,52)/t21-,22-,25-,26-,27-,28-,31-,32-/m0/s1
InChIKey: QQQGBGKQDJAEAC-PHPRFWOOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudostellaria heterophylla | Pseudostellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 784.9119999999996
TPSA？: 276.62
MolLogP？: 3.2282000000000046
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|