ANPDB

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Epilupeol

Canonical Smiles	CC(=C)[C@@H]1CC[C@]2(C1[C@H]1CCC3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@H](C1(C)C)O)C
InChI	InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23?,24+,25?,27+,28-,29+,30+/m0/s1
InChIKey	MQYXUWHLBZFQQO-PXGAZUHWSA-N
Formula	C₃₀H₅₀O
HBA	1
HBD	1
MW	426.73
Rotatable Bonds	1
TPSA	20.23
LogP	8.02
Number Rings	5
Number Aromatic Rings	0
Heavy Atom Count	31
Formal Charge	0
Fraction CSP3	0.93
Exact Mass	426.39
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Boswellia carterii	Burseraceae	Plantae	80276
2	Boswellia carterii	Burseraceae	Plantae	80276

Showing of synonyms

Yoshikawa M, Morikawa T, et al. (2009). Absolute stereostructures of olibanumols A, B, C, H, I, and J from olibanum, gum-resin of Boswellia carterii, and inhibitors of nitric oxide production in lipopolysaccharide-activated mouse peritoneal macrophages. Chemical and Pharmaceutical Bulletin,2009,57(9),957-964. [View] [PubMed]
Morikawa T, Oominami H, et al. (2010). Four new ursane-type triterpenes, olibanumols K, L, M, and N, from Traditional Egyptian Medicine olibanum, the gum-resin of Boswellia carterii. Chemical and Pharmaceutical Bulletin,2010,58(11),1541-1544. [View] [PubMed]

Pubchem: 3083852

Nmrshiftdb2: 70045098

No compound-protein relationship available.

SMILES: C1CCC(C12)CCC3C2CCC4C3CCC5C4CCCC5

Level: 0

Mol. Weight: 426.73 g/mol

No bioactivities available.

Absorption

Protein Name	UniProt ID	Entry Name	Species	#Pharmacophore Points	Probability (0.7 ≤ Tversky Score ≤ 1.0)
Lactoylglutathione lyase	Q9CPU0	LGUL_MOUSE	Mus musculus	2	0.7788
Lactoylglutathione lyase	Q9CPU0	LGUL_MOUSE	Mus musculus	2	0.7788