loading...| Preferred Name | grayanotoxin I | |
| Synonyms |
acetylandromedol andromedotoxin (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetate grayanotoxane-3,5,6,10,14,16-hexol 14-acetate asebotoxin rhodotoxin (14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate Grayanotoxin I |
|
| Definitions |
A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5542 |
|
| alternative term |
acetylandromedol andromedotoxin (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetate grayanotoxane-3,5,6,10,14,16-hexol 14-acetate asebotoxin rhodotoxin (14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate Grayanotoxin I |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_51372 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:4293525 Reaxys:2065643 KNApSAcK:C00003434 KEGG:C09103 CAS:4720-09-6 Beilstein:2065643 PMID:8481104 |
|
| definition |
A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. |
|
| formula |
C22H36O7 |
|
| has_exact_synonym |
(14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate Grayanotoxin I |
|
| has_obo_namespace |
chebi_ontology |
|
| has_parent_hydride | ||
| has_related_synonym |
acetylandromedol andromedotoxin (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate Perhydro-2beta,4alpha,8alpha,11beta,11abeta-pentahydroxy-1,1,4,8-tetramethyl-7,9a-methano-9aalphaH-cyclopenta(b)heptalen-12beta-yl acetate grayanotoxane-3,5,6,10,14,16-hexol 14-acetate asebotoxin rhodotoxin |
|
| id |
CHEBI:5542 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1 |
|
| inchikey |
NXCYBYJXCJWMRY-VGBBEZPXSA-N |
|
| label |
grayanotoxin I |
|
| mass |
412.51704 |
|
| monoisotopicmass |
412.24610 |
|
| notation |
CHEBI:5542 |
|
| prefLabel |
grayanotoxin I |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_51372 |
|
| smiles |
[H][C@]12CC[C@H]3[C@@](C)(O)[C@]4([H])C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]3(C[C@@]1(C)O)[C@@H]2OC(C)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37205 http://purl.obolibrary.org/obo/CHEBI_47622 http://purl.obolibrary.org/obo/CHEBI_35681 |