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Terpendole B

AlkaPlorer ID: AK017227

Synonym: '(-)-Terpendole B', 'Terpendole B'

IUPAC Name: 2-[(1S,2S,5S,7S,9R,11R,12R,15S)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraen-7-yl]propan-2-ol

Structure

SMILES: CC(C)(O)[C@@H]1C[C@H]2O[C@@]23[C@H](CC[C@@]2(C)[C@H]3CC[C@H]3CC4=C(NC5=CC=CC=C45)[C@@]32C)O1

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InChI: InChI=1S/C27H35NO3/c1-24(2,29)21-14-22-27(31-22)19-10-9-15-13-17-16-7-5-6-8-18(16)28-23(17)26(15,4)25(19,3)12-11-20(27)30-21/h5-8,15,19-22,28-29H,9-14H2,1-4H3/t15-,19+,20-,21-,22+,25-,26+,27-/m0/s1

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InChIKey: ZUYOYPXENZYYBN-SDVLGWPOSA-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: 421.5810000000001

TPSA？: 57.78

MolLogP？: 4.874000000000004

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004957 CC(C)(O)[C@@H]1CC=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1>>CC(C)(O)[C@@H]1C[C@H]2O[C@@]23[C@H](CC[C@@]2(C)[C@H]3CC[C@H]3Cc4c([nH]c5ccccc45)[C@@]32C)O1 R10570
AKRT004975 CC(C)(O)[C@@H]1C[C@H]2O[C@@]23[C@H](CC[C@@]2(C)[C@H]3CC[C@H]3Cc4c([nH]c5ccccc45)[C@@]32C)O1>>CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O R10571