Molecule

Asperphenamate; (ξ,ξ)-form

AlkaPlorer ID: AK289500

Synonym: None

IUPAC Name: (2-benzamido-3-phenylpropyl) 2-benzamido-3-phenylpropanoate

Structure

SMILES: O=C(OCC(CC1=CC=CC=C1)N=C(O)C1=CC=CC=C1)C(CC1=CC=CC=C1)N=C(O)C1=CC=CC=C1

InChI: InChI=1S/C32H30N2O4/c35-30(26-17-9-3-10-18-26)33-28(21-24-13-5-1-6-14-24)23-38-32(37)29(22-25-15-7-2-8-16-25)34-31(36)27-19-11-4-12-20-27/h1-20,28-29H,21-23H2,(H,33,35)(H,34,36)

InChIKey: CVULDJMCSSACEO-UHFFFAOYSA-N

Reference

Occurrence and biosynthesis of asperphenamate in solid cultures of Penicillium brevicompactum

PubChem CID: 328238

CAS: 740813-53-0

LOTUS: LTS0131827

NPASS: NPC199738

COCONUT: CNP0371247.4

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Aspergillus flavipes	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Medicago polymorpha	Medicago	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Croton hieronymi	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus janus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Artemisia anomala	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penicillium brevicompactum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Anaphalis	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Daphne genkwa	Daphne	Thymelaeaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 506.6020000000002

TPSA？: 91.48

MolLogP？: 5.761800000000005

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A498	GI50	50003.45	nM	None
Homo sapiens	A549	GI50	50003.45	nM	None
Homo sapiens	ACHN	GI50	50003.45	nM	None
Homo sapiens	EKVX	GI50	50003.45	nM	None
Homo sapiens	HCC 2998	GI50	50003.45	nM	None
Homo sapiens	HCT-15	GI50	50003.45	nM	None
Homo sapiens	HL-60	GI50	50003.45	nM	None
Homo sapiens	HOP-62	GI50	50003.45	nM	None
Homo sapiens	HOP-92	GI50	50003.45	nM	None
Homo sapiens	Hs-578T	GI50	50003.45	nM	None
Homo sapiens	HT-29	GI50	50003.45	nM	None
Homo sapiens	IGROV-1	GI50	50003.45	nM	None
Homo sapiens	K562	GI50	50003.45	nM	None
Homo sapiens	KM12	GI50	50003.45	nM	None
Homo sapiens	M14	GI50	50003.45	nM	None
Homo sapiens	Malme-3M	GI50	50003.45	nM	None
Homo sapiens	MCF7	GI50	50003.45	nM	None
Homo sapiens	MDA-MB-435	GI50	50003.45	nM	None
Homo sapiens	MOLT-4	GI50	50003.45	nM	None
Homo sapiens	NCI-H23	GI50	50003.45	nM	None
Homo sapiens	NCI-H460	GI50	50003.45	nM	None
Homo sapiens	NCI-H522	GI50	50003.45	nM	None
Homo sapiens	OVCAR-3	GI50	50003.45	nM	None
Homo sapiens	OVCAR-4	GI50	50003.45	nM	None
Homo sapiens	OVCAR-5	GI50	50003.45	nM	None
Homo sapiens	OVCAR-8	GI50	50003.45	nM	None
Homo sapiens	PC-3	GI50	50003.45	nM	None
Homo sapiens	RPMI-8226	GI50	50003.45	nM	None
Homo sapiens	SF-268	GI50	50003.45	nM	None
Homo sapiens	SF-295	GI50	32658.78	nM	None
Homo sapiens	SF-539	GI50	50003.45	nM	None
Homo sapiens	SK-MEL-2	GI50	50003.45	nM	None
Homo sapiens	SK-MEL-28	GI50	50003.45	nM	None
Homo sapiens	SK-OV-3	GI50	50003.45	nM	None
Homo sapiens	SNB-19	GI50	25585.86	nM	None
Homo sapiens	SNB-75	GI50	50003.45	nM	None
Homo sapiens	SR	GI50	50003.45	nM	None
Homo sapiens	SW-620	GI50	50003.45	nM	None
Homo sapiens	TK-10	GI50	50003.45	nM	None
Homo sapiens	U-251	GI50	34994.52	nM	None
Homo sapiens	UACC-257	GI50	50003.45	nM	None
Homo sapiens	UACC-62	GI50	50003.45	nM	None
Homo sapiens	UO-31	GI50	50003.45	nM	None