Philipimycin
AlkaPlorer ID: AK310171
Synonym: None
IUPAC Name: N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(21E)-48-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy-9,29-dihydroxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-40-(methoxymethyl)-16,19,26,31,42,46-hexaoxo-32-oxa-3,13,23,43,49-pentathia-7,17,20,27,45,51,52,53,54,55-decazanonacyclo[26.16.6.12,5.112,15.122,25.138,41.147,50.06,11.034,39]pentapentaconta-2(55),4,6,8,10,12(54),14,22(53),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide
Structure
SMILES: C=C(NC(=O)C1=CSC(C2=NC3=C(C=C2O)C2=NC(=CS2)C(=O)NC(C(C)O)C(=O)N/C(=C(\C)OC)C2=NC(=CS2)C(=O)NC2C4=NC(=C(OC5OC(C)C(OC6CCC(OC7OC(C)C(O)C(OC)C7O)C(C)O6)C(OC)C5OC)S4)C(=O)NC(CSC(=O)C4=C(COC)C5=C(C=CC=C5COC(=O)CC2O)N4)C2=NC3=CS2)=N1)C(N)=O
InChI: InChI=1S/C74H83N13O25S6/c1-26(60(75)94)76-61(95)37-23-116-69(82-37)51-41(89)17-33-49(83-51)36-21-114-67(79-36)40-25-117-71(100)50-34(20-101-7)46-32(13-12-14-35(46)77-50)19-106-44(91)18-42(90)52(86-63(97)39-24-115-68(81-39)48(29(4)102-8)85-64(98)47(27(2)88)84-62(96)38-22-113-66(33)80-38)70-87-53(65(99)78-40)74(118-70)112-73-59(105-11)58(104-10)56(31(6)109-73)111-45-16-15-43(28(3)107-45)110-72-55(93)57(103-9)54(92)30(5)108-72/h12-14,17,21-24,27-28,30-31,40,42-43,45,47,52,54-59,72-73,77,88-90,92-93H,1,15-16,18-20,25H2,2-11H3,(H2,75,94)(H,76,95)(H,78,99)(H,84,96)(H,85,98)(H,86,97)/b48-29+
InChIKey: AOUJXNNNXXXEKX-YAUIOFPMSA-N
Reference
CAS: 1056467-06-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes philippinensis | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1746.946
TPSA？: 527.7700000000001
MolLogP？: 4.625300000000008
Number of H-Donors: 12
Number of H-Acceptors: 37
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|