loading...| Preferred Name |
(+)-8-hydroxycalamenene |
|
| Synonyms |
(+)-8-Hydroxycalamenene 7betaH-cadina-1,3,5-trien-2-ol (5R,8S)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (+)-hydroxycalamenene |
|
| Definitions |
A sesquiterpenoid consisting of 5,6,7,8-tetrahydronaphthalen-1-ol having two methyl substituents at the 3- and 8-positions, an isopropyl substituent at the 5-position and (+)-(5R,8S)-configuration. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:4671990 Beilstein:5257045 CAS:88642-92-6 KEGG:C09938 KNApSAcK:C00002996 LIPID_MAPS_instance:LMPR0103330006 Reaxys:4671990 |
|
| definition |
A sesquiterpenoid consisting of 5,6,7,8-tetrahydronaphthalen-1-ol having two methyl substituents at the 3- and 8-positions, an isopropyl substituent at the 5-position and (+)-(5R,8S)-configuration. |
|
| formula |
C15H22O |
|
| has parent hydride | ||
| has_exact_synonym |
(+)-8-Hydroxycalamenene 7betaH-cadina-1,3,5-trien-2-ol (5R,8S)-3,8-dimethyl-5-(propan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(+)-hydroxycalamenene |
|
| id |
CHEBI:8 |
|
| in_subset | ||
| inchi |
InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1 |
|
| inchikey |
FDMKIGKOMRSCAW-NWDGAFQWSA-N |
|
| label |
(+)-8-hydroxycalamenene |
|
| mass |
218.33458 |
|
| monoisotopicmass |
218.16707 |
|
| notation |
CHEBI:8 |
|
| prefLabel |
(+)-8-hydroxycalamenene |
|
| smiles |
CC(C)[C@H]1CC[C@H](C)c2c(O)cc(C)cc12 |
|
| treeView | ||
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_8 | BERO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_8 | BIOMODELS | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_8 | BERO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_8 | BIOMODELS | LOOM | |
| http://purl.bioontology.org/ontology/MESH/C438412 | MESH | LOOM | |
| http://phenomebrowser.net/ontologies/mesh/mesh.owl#C438412 | RH-MESH | LOOM |