Meleagrin

Meleagrin
Identifiers
CAS Number	71751-77-4 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:70399;
ChemSpider	23510990;
PubChem CID	115080;
CompTox Dashboard (EPA)	DTXSID80891812 ;
	InChI InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1 Key: JTJJJLSLKZFEPJ-ZAYCRUKZSA-N; InChI=1/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1 Key: JTJJJLSLKZFEPJ-ZAYCRUKZBE;
	SMILES CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)O;
Properties
Chemical formula	C23H23N5O4
Molar mass	433.468 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	Infobox references

Meleagrin and its derivatives such as oxaline are bio-active benzylisoquinoline alkaloids made by deep ocean Penicillium.

Notes[]

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Identifiers

CAS Number	71751-77-4^N
3D model (JSmol)	Interactive image
ChEBI	CHEBI:70399
ChemSpider	23510990
PubChem CID	115080
CompTox Dashboard (EPA)	DTXSID80891812
InChI InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1 Key: JTJJJLSLKZFEPJ-ZAYCRUKZSA-N InChI=1/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1 Key: JTJJJLSLKZFEPJ-ZAYCRUKZBE
SMILES CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\c4c[nH]cn4)N(c5c2cccc5)OC)O
Properties
Chemical formula	C₂₃H₂₃N₅O₄
Molar mass	433.468 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references