Verruculogen
AlkaPlorer ID: AK317532
Synonym: TR1, TR 1 Toxin
IUPAC Name: 23,24-dihydroxy-5-methoxy-12,12-dimethyl-9-(2-methylprop-1-enyl)-10,11-dioxa-8,15,21-triazahexacyclo[12.10.1.02,7.08,25.015,23.017,21]pentacosa-1(25),2(7),3,5-tetraene-16,22-dione
Structure
SMILES: COC1=CC2=C(C=C1)C1=C3C(CC(C)(C)OOC(C=C(C)C)N32)N2C(=O)C3CCCN3C(=O)C2(O)C1O
InChI: InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3
InChIKey: LRXYHMMJJCTUMY-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 511.57500000000033
TPSA？: 113.70000000000002
MolLogP？: 2.855100000000001
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 6
Activities Information
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