samandarine
AlkaPlorer ID: AK021812
Synonym: '1alpha,4alpha-epoxy-3-aza-4a-homo-5beta-androstan-16beta-ol'
IUPAC Name: (1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol
Structure
SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H]5NC[C@H](O5)[C@@]43C)[C@@H]1C[C@H](O)C2
InChI: InChI=1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1
InChIKey: HJCSQOSWSRPBOU-XTXNWKRWSA-N
Reference
Notizen: Über eine alkaloidartige Substanz aus der Haut von Pseudophryne corroboree
PubChem CID: 9548773
CAS: 467-51-6
LOTUS: LTS0002536
SuperNatural Ⅲ: SN0127060-02
NPASS: NPC163576
data_source: manually
Source
Properties Information
Molecule Weight: 305.46200000000005
TPSA？: 41.49
MolLogP？: 2.924300000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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