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terpendole K

AlkaPlorer ID: AK075009

Synonym: '', 'Terpendole K'

IUPAC Name: (1R,2S,13S,16S,17S,19R,20R,22S,25S)-1,2,24,24-tetramethyl-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9,27-pentaen-16-ol

Structure

SMILES: CC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]34C(=CC[C@@]3(C)[C@@]4(O)CC[C@H]4CC5=C(NC6=CC=CC=C56)[C@@]43C)O[C@@H]2C(C)(C)O1

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InChI: InChI=1S/C32H39NO5/c1-17(2)15-23-36-24-26(28(3,4)37-23)35-22-12-13-29(5)30(6)18(11-14-31(29,34)32(22)27(24)38-32)16-20-19-9-7-8-10-21(19)33-25(20)30/h7-10,12,15,18,23-24,26-27,33-34H,11,13-14,16H2,1-6H3/t18-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1

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InChIKey: LUGOSEHTWGECJM-KYKWBTGESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Albophoma yamanashiensis Albophoma Ophiocordycipitaceae Hypocreales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 517.6660000000003

TPSA？: 76.24

MolLogP？: 5.439400000000005

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005336 CC(C)=C[C@H]1O[C@@H]2[C@H](O[C@H]3CC[C@]4(C)[C@@]5(C)c6[nH]c7ccccc7c6C[C@@H]5CC[C@@]4(O)[C@]34O[C@H]24)C(C)(C)O1>>CC(C)=C[C@H]1O[C@@H]2[C@H](OC3=CC[C@]4(C)[C@@]5(C)c6[nH]c7ccccc7c6C[C@@H]5CC[C@@]4(O)[C@]34O[C@H]24)C(C)(C)O1 R10382