aconicarnine C

AlkaPlorer ID: AK010623

Synonym: None

IUPAC Name: None

Structure

SMILES: C[C@@]12CC[C@H](O)[C@]3([C@H]4N(CC)C2)C1C[C@@H]4[C@]5([C@H]6O)C3[C@@H](O)[C@@H](C6=C)CC5

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InChI: InChI=1S/C22H33NO3/c1-4-23-10-20(3)7-6-15(24)22-14(20)9-13(18(22)23)21-8-5-12(11(2)19(21)26)16(25)17(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14?,15+,16+,17?,18+,19+,20+,21+,22-/m1/s1

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InChIKey: DHFGSUNKOXDUNF-BJNOPYRMSA-N

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Properties Information

Molecule Weight: 359.5100000000001

TPSA: 63.93000000000001

MolLogP: 1.7917999999999994

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information