Molecule

karakoline

AlkaPlorer ID: AK400334

Synonym: None

IUPAC Name: (1S,2R,3R,4S,5S,6S,8S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

Structure

SMILES: CCN1C[C@]2(C)CC[C@H](O)[C@]34C1C(C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2O

InChI: InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13?,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1

InChIKey: HKQZUYOVMYOFIT-MRKJBDNISA-N

Reference

Chemical Studies on Crude Drug Processing. II. Aconiti Tuber (1). : On the Constituents of "Chuan-wu", the Dried Tuber of Aconitum carmichaeli DEBX.

PubChem CID: 137706265

LOTUS: LTS0090088

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Delphinium bicolor	Delphinium	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 377.5250000000001

TPSA？: 73.16000000000001

MolLogP？: 1.2505999999999995

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi