None
AlkaPlorer ID: AK322816
Synonym: None
IUPAC Name: None
Structure
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)[C@@H](N=C(O)CN=C(O)[C@@H](N=C(O)[C@H](CS)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C)N=C(C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC
InChI: InChI=1S/C131H212N22O35S/c1-12-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-55-112(169)188-92(79-186-111(168)54-43-41-39-37-35-33-31-28-26-24-22-20-18-16-13-2)80-187-131(185)114(84(8)14-3)151-107(161)77-137-129(183)113(83(6)7)152-128(182)104(81-189)150-125(179)102(75-110(166)167)147-119(173)95(53-47-50-70-134)141-120(174)96(64-66-105(135)159)143-121(175)97(65-67-108(162)163)144-118(172)94(52-46-49-69-133)142-127(181)103(78-154)149-130(184)115(86(10)155)153-126(180)99(72-88-56-60-90(157)61-57-88)139-106(160)76-136-117(171)93(51-45-48-68-132)140-124(178)101(74-109(164)165)148-123(177)100(73-89-58-62-91(158)63-59-89)146-122(176)98(71-82(4)5)145-116(170)85(9)138-87(11)156/h21,23,27,29,32,34,38,40,56-63,82-86,92-104,113-115,154-155,157-158,189H,12-20,22,24-26,28,30-31,33,35-37,39,41-55,64-81,132-134H2,1-11H3,(H2,135,159)(H,136,171)(H,137,183)(H,138,156)(H,139,160)(H,140,178)(H,141,174)(H,142,181)(H,143,175)(H,144,172)(H,145,170)(H,146,176)(H,147,173)(H,148,177)(H,149,184)(H,150,179)(H,151,161)(H,152,182)(H,153,180)(H,162,163)(H,164,165)(H,166,167)/b23-21-,29-27-,34-32-,40-38-/t84-,85-,86+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,113-,114-,115-/m0/s1
InChIKey: WUKWRQWUVJVZCD-UKVOWBEYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Capra hircus | Capra | Bovidae | Artiodactyla | Mammalia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 2687.322999999996
TPSA?: 980.4800000000004
MolLogP?: 20.01057000000001
Number of H-Donors: 31
Number of H-Acceptors: 36
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Activity | nan | None | 10.1021/np900360m |
| None | Fibroblast | Activity | 15.0 | % | 10.1021/np900360m |
| None | Fibroblast | Activity | 20.0 | % | 10.1021/np900360m |
| None | Fibroblast | Activity | 40.0 | % | 10.1021/np900360m |
| None | Fibroblast | Activity | nan | None | 10.1021/np900360m |
| None | Fibroblast | EC99 | 3.0 | ng/ml | 10.1021/np900360m |
| None | Fibroblast | FC | 3.0 | None | 10.1021/np900360m |
| None | Fibroblast | FC | 5.0 | None | 10.1021/np900360m |
