Molecule

Geometricin A

AlkaPlorer ID: AK319695

Synonym: None

IUPAC Name: None

Structure

SMILES: CO[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(=N)O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/C3=COC(C)=N3)O2)C(C)(C)[C@H]1OP(=O)(O)O

InChI: InChI=1S/C39H63N2O12P/c1-22(17-34(40)44)13-11-14-23(2)24(3)18-25(4)35(45)27(6)30(42)19-33(49-10)36-37(53-54(46,47)48)38(8,9)39(52-36)20-31(43)26(5)32(51-39)16-12-15-29-21-50-28(7)41-29/h12,14-15,17-18,21,25-27,30-33,35-37,42-43,45H,11,13,16,19-20H2,1-10H3,(H2,40,44)(H2,46,47,48)/b15-12+,22-17-,23-14+,24-18+/t25-,26-,27-,30-,31-,32-,33+,35+,36+,37-,39+/m0/s1

InChIKey: GNMWTNFLWQSTKW-BCDASHGJSA-N

Reference

A New Cytotoxic Calyculinamide Derivative, Geometricin A, from the Australian Sponge Luffariella geometrica

LOTUS: LTS0203301

NPASS: NPC286640

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Saussurea muliensis	Saussurea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bupleurum smithii	Bupleurum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Drosera rotundifolia	Drosera	Droseraceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Geraea canescens	Geraea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum finetianum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 782.9090000000004

TPSA？: 225.25

MolLogP？: 6.324890000000009

Number of H-Donors: 7

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi