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Penitrem G

AlkaPlorer ID: AK045972

Synonym: None

IUPAC Name: (1R,2S,5S,8R,9R,11S,14R,15S,24S,26R,27S)-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18(29),19,21(28)-pentaene-2,5,8-triol

Structure

SMILES: C=C1CC2=CC=C3NC4=C5C3=C2[C@H]2[C@@H]1C[C@H]2C(C)(C)O[C@H]5[C@]1(O)CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C

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InChI: InChI=1S/C37H45NO5/c1-17(2)30-24(39)16-21-25(42-30)10-11-34(6)35(7)31-29-28-23(38-31)9-8-19-14-18(3)20-15-22(27(20)26(19)28)33(4,5)43-32(29)37(35,41)13-12-36(21,34)40/h8-9,16,20,22,24-25,27,30,32,38-41H,1,3,10-15H2,2,4-7H3/t20-,22-,24-,25+,27+,30-,32-,34-,35-,36-,37-/m1/s1

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InChIKey: NKDIIHTXCWIGFT-BBQSZKIHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Penicillium solitum Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 583.769

TPSA？: 94.94

MolLogP？: 5.808000000000005

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Ceratitis capitata Ceratitis capitata Activity 3.8 % 10.1021/jf020983e
Ceratitis capitata Ceratitis capitata Activity 7.2 % 10.1021/jf020983e
Ceratitis capitata Ceratitis capitata Activity 88.5 % 10.1021/jf020983e
Ceratitis capitata Ceratitis capitata mortality 0.0 % 10.1021/jf020983e
Oncopeltus fasciatus Oncopeltus fasciatus mortality 0.0 % 10.1021/jf020983e
Oncopeltus fasciatus Oncopeltus fasciatus Survival 100.0 % 10.1021/jf020983e

Metabolism Information