Molecule

Adenophostin B

AlkaPlorer ID: AK040014

Synonym: None

IUPAC Name: [(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-phosphonooxyoxolan-3-yl]oxy-5-hydroxy-3,4-diphosphonooxyoxan-2-yl]methyl acetate

Structure

SMILES: CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@@H](OP(=O)(O)O)[C@H](N3C=NC4=C(N)N=CN=C43)O[C@@H]2CO)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O

InChI: InChI=1S/C18H28N5O19P3/c1-6(25)36-3-8-12(40-43(27,28)29)13(41-44(30,31)32)10(26)18(38-8)39-11-7(2-24)37-17(14(11)42-45(33,34)35)23-5-22-9-15(19)20-4-21-16(9)23/h4-5,7-8,10-14,17-18,24,26H,2-3H2,1H3,(H2,19,20,21)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/t7-,8-,10-,11-,12-,13-,14-,17-,18-/m1/s1

InChIKey: ZYMMXLQDBUGSID-WKGHCRPTSA-N

Reference

Adenophostins A and B: Potent agonists of inositol-1,4,5-trisphosphate receptor produced by Penicillium brevicompactum. Structure elucidation.

PubChem CID: 656722

CAS: 149091-93-0

LOTUS: LTS0114137

SuperNatural Ⅲ: SN0483703-02

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NPAtlas: NPA005092

Source

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

Properties Information

Molecule Weight: 711.3600000000006

TPSA？: 364.3500000000001

MolLogP？: -3.2339999999999964

Number of H-Donors: 9

Number of H-Acceptors: 18

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi