Chujamide A
AlkaPlorer ID: AK292455
Synonym: None
IUPAC Name: 18-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-38-benzyl-26-butan-2-yl-9-[(4-hydroxyphenyl)methyl]-35-(2-methylpropyl)-2,8,11,17,25,28,34,37,40-nonaoxo-20,21-dithia-1,7,10,16,24,27,33,36,39-nonazapentacyclo[39.3.0.03,7.012,16.029,33]tetratetracontane-23-carboxylic acid
Structure
SMILES: CCC(C)C(NC(=O)CN)C(=O)NC1CSSCC(C(=O)O)NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C1=O
InChI: InChI=1S/C64H92N12O14S2/c1-7-37(5)52(71-51(78)33-65)58(83)69-45-34-91-92-35-46(64(89)90)70-59(84)53(38(6)8-2)72-57(82)49-20-13-26-73(49)60(85)43(30-36(3)4)67-54(79)42(31-39-16-10-9-11-17-39)66-55(80)48-19-14-28-75(48)63(88)50-21-15-29-76(50)61(86)44(32-40-22-24-41(77)25-23-40)68-56(81)47-18-12-27-74(47)62(45)87/h9-11,16-17,22-25,36-38,42-50,52-53,77H,7-8,12-15,18-21,26-35,65H2,1-6H3,(H,66,80)(H,67,79)(H,68,81)(H,69,83)(H,70,84)(H,71,78)(H,72,82)(H,89,90)
InChIKey: LEFGPCWDECSMJW-UHFFFAOYSA-N
Reference
Intramolecular transesterified taxanes from Taxus yunnanensis
PubChem CID: 163110722
COCONUT: CNP0431037.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1317.6439999999996
TPSA？: 368.49
MolLogP？: 1.1116
Number of H-Donors: 10
Number of H-Acceptors: 16
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|