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

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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

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InChIKey: WUKWRQWUVJVZCD-UKVOWBEYSA-N

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Reference

PubChem CID: 44606747

NPASS: NPC479121

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

Metabolism Information