Molecule

Anhwiedelphinine

AlkaPlorer ID: AK041766

Synonym: '', 'Anhwiedelphinine'

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-en-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate

Structure

SMILES: CO[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@H]2[C@]4(COC(=O)C5=CC=CC=C5N5C(=O)C[C@H](C)C5=O)C=N[C@H]1[C@]32[C@@H](OC)CC4

InChI: InChI=1S/C35H44N2O10/c1-17-12-24(38)37(29(17)39)21-9-7-6-8-18(21)30(40)47-16-32-11-10-23(44-3)34-20-13-19-22(43-2)14-33(41,25(20)26(19)45-4)35(42,31(34)36-15-32)28(46-5)27(32)34/h6-9,15,17,19-20,22-23,25-28,31,41-42H,10-14,16H2,1-5H3/t17-,19+,20+,22-,23-,25+,26-,27+,28-,31-,32-,33+,34-,35+/m0/s1

InChIKey: ZXTOPWJFZABXSX-JVBPJWSTSA-N

Reference

The Natural Occurrence and Partial Synthesis of 1a,4(S),6b,14a,16b-19,20-Didehydro-1,6,14,16-tetramethoxy-4-[[[2-(3-methyl-2,5-dioxopyrrolidinyl)benzoyl]oxy]methyl]aconitane-7,8-diol; concerning Anhweidelphinine

PubChem CID: 101631699

LOTUS: LTS0052994

SuperNatural Ⅲ: SN0483149-02

Source

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

Properties Information

Molecule Weight: 652.7410000000001

TPSA？: 153.42

MolLogP？: 1.784000000000001

Number of H-Donors: 2

Number of H-Acceptors: 11

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi