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name Structure Reference Source Properties Activities Metabolism

(1R,2S,3S,5R,6S,8R,9S,11S,14S,16S,17S,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-2,3,6,18-tetrol

AlkaPlorer ID: AK380625

Synonym: None

IUPAC Name: (2S,3S,5R,6R,9S,11S,16R,17S,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-2,3,6,18-tetrol

Structure

SMILES: C=C1CC23C[C@@H]4[C@H]5C67C([C@H]2C[C@H]1C[C@]36O)N4[C@H](O)[C@]5(C)C[C@H](O)[C@H]7O

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InChI: InChI=1S/C20H27NO4/c1-8-4-18-6-11-13-17(2)7-12(22)15(23)20(13)14(21(11)16(17)24)10(18)3-9(8)5-19(18,20)25/h9-16,22-25H,1,3-7H2,2H3/t9-,10+,11+,12-,13+,14?,15+,16+,17+,18?,19-,20?/m0/s1

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InChIKey: FQPRSAQZPQSWKW-SFGCJOHZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aconitum septentrionale Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 345.4390000000001

TPSA？: 84.16000000000001

MolLogP？: 0.2264999999999997

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information