Molecule

Anopterine

AlkaPlorer ID: AK032159

Synonym: '', 'Anopterine'

IUPAC Name: [(1S,3S,4S,5S,7S,9S,14S,15R,16S,17R)-3,4,7-trihydroxy-9,11-dimethyl-16-[(E)-2-methylbut-2-enoyl]oxy-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-15-yl] (E)-2-methylbut-2-enoate

Structure

SMILES: C=C1C[C@]23C[C@H](O)[C@]4(O)[C@@]5(C)C[C@H](O)C[C@]46C(C2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)/C(C)=C/C)[C@H]36)N(C)C5

InChI: InChI=1S/C31H43NO7/c1-8-15(3)26(35)38-22-20-17(5)10-29-13-19(34)31(37)28(6)11-18(33)12-30(31,25(21(20)29)32(7)14-28)24(29)23(22)39-27(36)16(4)9-2/h8-9,18-25,33-34,37H,5,10-14H2,1-4,6-7H3/b15-8+,16-9+/t18-,19-,20+,21?,22+,23+,24+,25?,28-,29-,30-,31-/m0/s1

InChIKey: PISLVTVZMHAKFK-CXROCBCRSA-N

Reference

New Alkaloids of the ent-Kaurene Type from Anopterus Species. III. A 2D-N.M.R. Study of Anopterine and the Determination of Structure of Six Minor Alkaloids by N.M.R

PubChem CID: 5281261

CAS: 38826-62-9

LOTUS: LTS0033753

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Anopterus glandulosus	Anopterus	Escalloniaceae	Escalloniales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 541.6850000000002

TPSA？: 116.53000000000002

MolLogP？: 2.5216000000000003

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi