Molecule

Epicorazine A

AlkaPlorer ID: AK005693

Synonym: '', 'NSC 287069', 'Epicorazine A', 'Epicorazine B', 'epicorazine B'

IUPAC Name: (1R,4S,5S,9R,11R,14S,15S,19S)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone

Structure

SMILES: O=C1C=C[C@H](O)[C@@H]2[C@@H]1C[C@@]13SS[C@]4(C[C@H]5C(=O)C=C[C@H](O)[C@H]5N4C1=O)C(=O)N23

InChI: InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2/t7-,8+,11-,12-,13-,14-,17+,18+/m0/s1

InChIKey: RCODXLGTKJXDNC-ODWYQEHYSA-N

Reference

PubChem CID: 73891006

SuperNatural Ⅲ: SN0321713-02

NPASS: NPC262880

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pachysandra procumbens	Pachysandra	Buxaceae	Buxales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Azolla filiculoides	Azolla	Salviniaceae	Salviniales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Cyclamen repandum	Cyclamen	Primulaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Burasaia madagascariensis	Burasaia	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus brunneus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Cussonia arborea	Cussonia	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helicobasidium mompa	Helicobasidium	Helicobasidiaceae	Helicobasidiales	Pucciniomycetes	Basidiomycota	Fungi	Eukaryota
Phoma sp. OUCMDZ-1847	Phoma	Didymellaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Andryala pinnatifida	Andryala	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hypoxylon fragiforme	Hypoxylon	Hypoxylaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Hericium erinaceus	Hericium	Hericiaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Plantago subulata	Plantago	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ormosia sumatrana	Ormosia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stereum hirsutum	Stereum	Stereaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Thymus marschallianus	Thymus	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 420.4680000000001

TPSA？: 115.21999999999998

MolLogP？: -0.7786000000000002

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	10000.0	nM	10.1021/np400802d
Homo sapiens	HCT-116	IC50	10000.0	nM	10.1021/np400802d
Homo sapiens	HL-60	IC50	1600.0	nM	10.1021/np400802d
Homo sapiens	K562	IC50	4600.0	nM	10.1021/np400802d
Homo sapiens	MGC-803	IC50	5200.0	nM	10.1021/np400802d