Verrucamide D
AlkaPlorer ID: AK066619
Synonym: None
IUPAC Name: (3S,6S,12R,15S,18S,21S,24S,27S,33R,36S,39S,42S)-33-benzyl-18,24-bis(1-hydroxyethyl)-3,39-bis(hydroxymethyl)-1,4,12,13,19,25,34-heptamethyl-6,15,21,27,36,42-hexa(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecazacyclodotetracontane-2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecone
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@H](C(C)O)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@H](C(C)O)N(C)C(=O)[C@H](C(C)C)N=C(O)CN=C(O)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@H](CO)N=C(O)[C@H](C(C)C)N(C)C(=O)[C@H](CO)N(C)C(=O)[C@H](C(C)C)N=C(O)CN=C(O)[C@@H](C)N(C)C1=O
InChI: InChI=1S/C66H110N14O18/c1-32(2)47-63(95)77(18)44(31-82)61(93)78(19)52(37(11)12)58(90)69-42(30-81)56(88)72-50(35(7)8)64(96)76(17)43(27-41-25-23-22-24-26-41)57(89)68-29-46(86)71-48(33(3)4)65(97)79(20)53(39(14)83)60(92)74-51(36(9)10)66(98)80(21)54(40(15)84)59(91)73-49(34(5)6)62(94)75(16)38(13)55(87)67-28-45(85)70-47/h22-26,32-40,42-44,47-54,81-84H,27-31H2,1-21H3,(H,67,87)(H,68,89)(H,69,90)(H,70,85)(H,71,86)(H,72,88)(H,73,91)(H,74,92)/t38-,39?,40?,42+,43-,44+,47+,48+,49+,50+,51+,52+,53+,54+/m1/s1
InChIKey: HRWLTBUENCFLGG-QHCIBDNUSA-N
Reference
Verrucamides A–D, Antibacterial Cyclopeptides from <i>Myrothecium verrucaria</i>
PubChem CID: 139584529
LOTUS: LTS0069472
{NPAtlas: NPA005141
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Verrucaria | Verrucariaceae | Verrucariales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1387.6859999999997
TPSA？: 463.5000000000001
MolLogP？: 2.770400000000003
Number of H-Donors: 12
Number of H-Acceptors: 18
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|