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name Structure Reference Source Properties Activities Metabolism

(10Z,26Z,29Z,31Z)-33,34-dihydroxy-5,22-diazapentacyclo[16.16.1.0¹,²².0²,²?.0?,³?]pentatriaconta-10,26,29,31-tetraene-18-carbaldehyde

AlkaPlorer ID: AK487330

Synonym: None

IUPAC Name: (1S,2R,10Z,18R,20S,26Z,29Z,31E,33S,34S,35S)-33,34-dihydroxy-5,22-diazapentacyclo[16.16.1.01,22.02,20.05,35]pentatriaconta-10,26,29,31-tetraene-18-carbaldehyde

Structure

SMILES: O=C[C@@]12CCCCCC/C=C\CCCCN3CC[C@@H]4[C@@H](CN5CCC/C=C\C/C=C\C=C\[C@H](O)[C@@H](O)[C@@]45[C@@H]31)C2

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InChI: InChI=1S/C34H52N2O3/c37-27-33-21-16-12-8-4-1-2-5-9-13-17-22-35-24-20-29-28(25-33)26-36-23-18-14-10-6-3-7-11-15-19-30(38)31(39)34(29,36)32(33)35/h2,5-7,10-11,15,19,27-32,38-39H,1,3-4,8-9,12-14,16-18,20-26H2/b5-2-,10-6-,11-7-,19-15+/t28-,29-,30+,31-,32+,33+,34-/m1/s1

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InChIKey: PERDMCCQHJQUJN-BDHWYWMCSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Haliclona sarai Haliclona Chalinidae Haplosclerida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 536.8010000000002

TPSA？: 64.01

MolLogP？: 5.591500000000008

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information