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Benjaminamide

Canonical Smiles	CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@H]([C@@H]([C@@H](CCCCCCC/C=C/CCCCC)O)O)CO)O
InChI	InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h12,14,38-41,44-47H,3-11,13,15-37H2,1-2H3,(H,43,48)/b14-12+/t38-,39+,40+,41-/m0/s1
InChIKey	SOZSUYGVBDXLLZ-HSMPPUOJSA-N
Formula	C₄₂H₈₃NO₅
HBA	5
HBD	5
MW	682.13
Rotatable Bonds	38
TPSA	110.02
LogP	10.63
Number Rings	0
Number Aromatic Rings	0
Heavy Atom Count	48
Formal Charge	0
Fraction CSP3	0.93
Exact Mass	681.63
Number of Lipinski Rule Violations	2

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Ficus mucuso	Moraceae	Plantae	309328
2	Ficus mucuso	Moraceae	Plantae	309328
3	Ficus benjamina	Moraceae	Plantae	182105
4	Chythrantus claneianus	Sapindaceae	Plantae	—
5	Pancovia pedicellaris	Sapindaceae	Plantae	1195016

Showing of synonyms

Soh R, Bankeu J, et al. (2009). Antibacterial Ellagic Acid Derivatives and Other Constituents from Pancovia pedicellaris. Zeitschrift für Naturforschung B. 2009, 64(9), 1070-1076. [View]
Simo C, Kouam S, et al. (2008). Benjaminamide: a new ceramide and other compounds from the twigs of Ficus benjamina (Moraceae).. Biochemical Systematics and Ecology, 2008, 36(3), 238-243. [View] [PubMed]
Bankeu JJ, Mustafa SA, et al. (2010). Ceramide and Cerebroside from the stem bark of Ficus mucuso (Moraceae).. Chemical & pharmaceutical bulletin,2010, 58(12), 1661-1665. [View] [PubMed]
Bankeu JJ, Khayala R, et al. (2011). Isoflavone dimers and other bioactive constituents from the figs of Ficus mucuso.. Journal of natural products,2011, 74(6), 1370-1378. [View] [PubMed]
Gojayev AS, Bankeu JJK, et al. (2013). Xanthine oxidase inhibitory activity of compounds from Chythrantus claneianus. Bangladesh J Pharmacol, 2013, 8(1), 78-83. [View]

Chebi: 69751

Nmrshiftdb2: 60025757

Metabolights: MTBLC69751

No compound-protein relationship available.

No scaffolds available.

No bioactivities available.

Absorption

Protein Name	UniProt ID	Entry Name	Species	#Pharmacophore Points	Probability (0.7 ≤ Tversky Score ≤ 1.0)
Serpin domain-containing protein	H0ZQY2	H0ZQY2_TAEGU	Taeniopygia guttata	3	0.9020
Actin, alpha skeletal muscle	P68135	ACTS_RABIT	Oryctolagus cuniculus	3	0.8707
Ascorbate-specific PTS system EIIC component	P39301	ULAA_ECOLI	Escherichia coli	3	0.8674
Macrophage metalloelastase	P39900	MMP12_HUMAN	Homo sapiens	3	0.8629
Carbonic anhydrase 1	P00915	CAH1_HUMAN	Homo sapiens	3	0.8417
Gag-Pol polyprotein	P0C6F2	POL_HV1LW	Human immunodeficiency virus type 1 group M subtype B	3	0.8378
Xylose isomerase	P24300	XYLA_STRRU	Streptomyces rubiginosus	3	0.8302
4-alpha-glucanotransferase	O87172	MALQ_THETH	Thermus thermophilus	3	0.8270
Aldos-2-ulose dehydratase	P84193	AUD_PHACH	Phanerodontia chrysosporium	3	0.8110
Glycogenin-1	P46976	GLYG_HUMAN	Homo sapiens	3	0.7992
Liver carboxylesterase 1	P23141	EST1_HUMAN	Homo sapiens	3	0.7799
Carbonic anhydrase 2	P00918	CAH2_HUMAN	Homo sapiens	3	0.7729
Beta-glucosidase	Q8T0W7	Q8T0W7_9NEOP	Neotermes koshunensis	3	0.7617
Beta-glucosidase A	Q08638	BGLA_THEMA	Thermotoga maritima	3	0.7445
Aldos-2-ulose dehydratase	P84193	AUD_PHACH	Phanerodontia chrysosporium	3	0.7255
Sodium/potassium-transporting ATPase subunit alpha	Q4H132	Q4H132_SQUAC	Squalus acanthias	3	0.7150
Beta-glucosidase 1A	Q25BW5	BGL1A_PHACH	Phanerodontia chrysosporium	3	0.7133
Methionine aminopeptidase 1	P53582	MAP11_HUMAN	Homo sapiens	2	0.7054
Pentaerythritol tetranitrate reductase	P71278	P71278_ENTCL	Enterobacter cloacae	2	0.7048