Molecule

Anhydrolycorinone

AlkaPlorer ID: AK047691

Synonym: '', 'Anhydrolycorinone', 'Anhydrolycorin-7-one'

IUPAC Name: 5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,15(19),16-hexaen-11-one

SMILES: O=C1C2=CC3=C(C=C2C2=C4C(=CC=C2)CCN14)OCO3

InChI: InChI=1S/C16H11NO3/c18-16-12-7-14-13(19-8-20-14)6-11(12)10-3-1-2-9-4-5-17(16)15(9)10/h1-3,6-7H,4-5,8H2

InChIKey: UJOHABFHKQHIKS-UHFFFAOYSA-N

PubChem CID: 321920

CAS: 40360-71-2

LOTUS: LTS0087436

SuperNatural Ⅲ: SN0372196

COCONUT: CNP0110907

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 265.268

TPSA？: 40.46

MolLogP？: 2.4395000000000007

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Flavobacterium columnare	Flavobacterium columnare	MIC	10000.0	nM	10.1016/j.bmcl.2017.09.052
Flavobacterium columnare	Flavobacterium columnare	MIC	100000.0	nM	10.1016/j.bmcl.2017.09.052
Homo sapiens	A549	GI50	24000.0	nM	10.1016/j.bmc.2011.09.051
Homo sapiens	MCF7	GI50	16000.0	nM	10.1016/j.bmc.2011.09.051
Homo sapiens	PC-3	GI50	38000.0	nM	10.1016/j.bmc.2011.09.051
Homo sapiens	SK-MEL-28	GI50	33000.0	nM	10.1016/j.bmc.2011.09.051
Homo sapiens	T98G	GI50	24000.0	nM	10.1016/j.bmc.2011.09.051
Mus musculus	B16-F10	GI50	8000.0	nM	10.1016/j.bmc.2011.09.051
Rhodococcus fascians	Rhodococcus fascians	IZ	0.0	mm	10.1021/np50040a008
Rhodococcus fascians	Rhodococcus fascians	IZ	9.0	mm	10.1021/np50040a008
Rhodococcus fascians	Rhodococcus fascians	IZ	12.0	mm	10.1021/np50040a008
Rhodococcus fascians	Rhodococcus fascians	IZ	25.0	mm	10.1016/j.bmcl.2017.09.052
Rhodococcus fascians	Rhodococcus fascians	IZ	25.0	mm	10.1021/np50040a008
None	NON-PROTEIN TARGET	GI50	4000.0	nM	10.1016/j.bmc.2011.09.051
None	NON-PROTEIN TARGET	GI50	14000.0	nM	10.1016/j.bmc.2011.09.051