Tremerogen A-10
AlkaPlorer ID: AK503766
Synonym: None
IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[(2S)-2-[[2-[[(2S)-4-amino-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2R)-3-[(2E,6E,10E)-12-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Structure
SMILES: COC(=O)[C@H](CSC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)CN=C(O)[C@H](CC(=N)O)N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N=C(O)[C@H](CC1=CN=CN1)N=C(O)[C@@H](N)CCC(=O)O
InChI: InChI=1S/C67H97N15O21S/c1-37(11-7-13-39(3)33-83)10-6-12-38(2)22-25-104-35-50(67(102)103-5)80-60(95)45(26-41-16-18-43(85)19-17-41)75-54(87)31-71-59(94)47(28-53(69)86)76-55(88)32-72-63(98)51-14-8-23-81(51)65(100)40(4)74-62(97)49(34-84)79-64(99)52-15-9-24-82(52)66(101)48(29-57(91)92)78-61(96)46(27-42-30-70-36-73-42)77-58(93)44(68)20-21-56(89)90/h10,13,16-19,22,30,36,40,44-52,83-85H,6-9,11-12,14-15,20-21,23-29,31-35,68H2,1-5H3,(H2,69,86)(H,70,73)(H,71,94)(H,72,98)(H,74,97)(H,75,87)(H,76,88)(H,77,93)(H,78,96)(H,79,99)(H,80,95)(H,89,90)(H,91,92)/b37-10+,38-22+,39-13+/t40-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
InChIKey: QQWZXNYEOJWLEI-IUHGJSQOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tremella mesenterica | Tremella | Tremellaceae | Tremellales | Tremellomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1480.6640000000004
TPSA？: 594.3000000000002
MolLogP？: 4.973370000000014
Number of H-Donors: 18
Number of H-Acceptors: 22
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|