Clavariopsin A
AlkaPlorer ID: AK044623
Synonym: None
IUPAC Name: 2-[15,17-di(butan-2-yl)-6-[(4-methoxyphenyl)methyl]-10,16,19,22,28-pentamethyl-2,5,8,11,14,18,20,23,26,29-decaoxo-3,9,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid
Structure
SMILES: CCC(C)C1C(=O)NCC(=O)N(C)C(C(C)C)C(=O)NC(CC2=CC=C(OC)C=C2)C(=O)OC(C(C)C)C(=O)N2CCCCC2C(=O)N(C)C(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(=O)O)C(=O)N(C)C(=O)C(C(C)CC)N1C
InChI: InChI=1S/C59H95N9O14/c1-19-36(11)48-51(72)60-31-43(69)64(14)46(33(5)6)52(73)61-40(29-38-24-26-39(81-18)27-25-38)59(80)82-50(35(9)10)58(79)68-28-22-21-23-41(68)54(75)66(16)47(34(7)8)53(74)62-45(32(3)4)56(77)63(13)42(30-44(70)71)55(76)67(17)57(78)49(65(48)15)37(12)20-2/h24-27,32-37,40-42,45-50H,19-23,28-31H2,1-18H3,(H,60,72)(H,61,73)(H,62,74)(H,70,71)
InChIKey: FCEFKCPCSKTWTD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Clavariopsis aquatica | Clavariopsis | None | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1154.4579999999992
TPSA？: 281.99
MolLogP？: 2.9559000000000086
Number of H-Donors: 4
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|