Molecule

Bis(Gorgiacerol)Amine

AlkaPlorer ID: AK041899

Synonym: None

IUPAC Name: methyl (2R,3R,7S,8R,9R)-8-hydroxy-7-[[(2R,3R,7S,8R,9R)-8-hydroxy-12-methoxycarbonyl-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-trien-7-yl]amino]-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6(15),11-triene-12-carboxylate

Structure

SMILES: C=C(C)[C@H]1CC2=C(C(=O)OC)C=C(O2)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@H](N[C@H]2C3=C[C@@H](OC3=O)[C@@H](C(=C)C)C3=CC(C(=O)OC)=C(C[C@H](C(=C)C)[C@H]2O)O3)[C@@H]1O

InChI: InChI=1S/C42H47NO12/c1-17(2)21-11-27-23(39(46)50-9)13-29(52-27)33(19(5)6)31-15-25(41(48)54-31)35(37(21)44)43-36-26-16-32(55-42(26)49)34(20(7)8)30-14-24(40(47)51-10)28(53-30)12-22(18(3)4)38(36)45/h13-16,21-22,31-38,43-45H,1,3,5,7,11-12H2,2,4,6,8-10H3/t21-,22-,31-,32-,33+,34+,35+,36+,37-,38-/m1/s1

InChIKey: JNHYDXTWWOIVKJ-XSDNBSJSSA-N

Reference

PubChem CID: 15720534

SuperNatural Ⅲ: SN0170047-02

NPASS: NPC128683

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Citrus glauca	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia inculta	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Magnolia champaca	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eucalyptus youngiana	Eucalyptus	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Peridinium bipes	Peridinium	Peridiniaceae	Peridiniales	Dinophyceae	None	None	Eukaryota
Lomatia tinctoria	Lomatia	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cardamine diphylla	Cardamine	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Geraea viscida	Geraea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Larrea nitida	Larrea	Zygophyllaceae	Zygophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 757.8330000000001

TPSA？: 183.97

MolLogP？: 4.714400000000006

Number of H-Donors: 3

Number of H-Acceptors: 13

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HCT-116	IC50	28000.0	nM	10.1021/np8008144
Homo sapiens	HeLa	IC50	100000.0	nM	10.1021/np8008144