Thiomycalolide A
AlkaPlorer ID: AK133954
Synonym: ''
IUPAC Name: None
Structure
SMILES: CO[C@@H]1C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)/C=C\C[C@@H](OC)[C@@H](C)[C@@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)OC(=O)C[C@@H](O)C[C@@H](SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)CC(=O)[C@H]1C
InChI: InChI=1S/C57H81N7O20S/c1-30(14-16-43(68)32(3)52(83-35(6)66)31(2)18-19-64(7)29-65)46(78-9)23-47-34(5)45(77-8)12-11-13-49-61-40(26-80-49)55-63-41(27-82-55)56-62-39(25-81-56)53(79-10)33(4)44(69)22-37(20-36(67)21-51(73)84-47)85-28-42(54(74)59-24-50(71)72)60-48(70)17-15-38(58)57(75)76/h11,13,18-19,25-27,29-34,36-38,42,45-47,52-53,67H,12,14-17,20-24,28,58H2,1-10H3,(H,59,74)(H,60,70)(H,71,72)(H,75,76)/b13-11-,19-18+/t30-,31-,32-,33-,34-,36+,37-,38+,42-,45-,46-,47-,52+,53+/m1/s1
InChIKey: RVLWNQNWLCPIMQ-WHSUNVHWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 1216.371
TPSA?: 391.88
MolLogP?: 4.564100000000009
Number of H-Donors: 6
Number of H-Acceptors: 23
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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