aristolochene
-
Formula: C15H24
-
Molecular weight: 204.35
-
Smiles: CC1CCCC2=CCC(CC12C)C(=C)C
aristolochene
Names
-
Mycotoxin name: aristolochene
-
First synonym: (+)-aristolochene
-
Synonyms: (+)-Aristolochene,aristolochene,(1S,7S,8aR)-aristolochene,123408-96-8,(4S,4aR,6S)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene,(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene 7betaH-eremophila-9,11-diene,4,5-di-epi-Aristoloshene,7betaH-eremophila-9,11-diene,CHEBI:43445,DTXSID90349637,LMPR0103270003,C02004,Q3622703,(4S,4aR,6S)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Identifiers / External links
-
CAS: 26620-71-3,123408-96-8
-
PubChem CID: 656496
-
DSS TOX CID: DTXCID70103658
-
ChemSpiderID: 141884
-
Wikidata (wiki): Q27102773,Q3622703
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:43445,CHEBI:18027,CHEBI:36529
-
CompTox Chemicals Dashboard (DTXSID): DTXSID60181167,DTXSID90349637
Structure
-
Smiles: CC1CCCC2=CCC(CC12C)C(=C)C
-
Isomeric smiles: C[C@@H]1CCCC2=CC[C@H](C[C@@]12C)C(=C)C
-
Inchi: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m1/s1
-
Inchikey: YONHOSLUBQJXPR-NFAWXSAZSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C15H24
-
Molecular weight: 204.35
-
Monoisotopic mass: 204.187800766
Select an endpoint:
| Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Endpoint | Tool | Value | Unit | Comments | Reference |
|---|
Fungi
-
Fungi id Species 263 Aspergillus terreus 907 Penicillium roqueforti