ANPDB

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Quinovic acid

Canonical Smiles	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C(=O)O)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O
InChI	InChI=1S/C30H46O5/c1-17-9-14-29(24(32)33)15-16-30(25(34)35)19(23(29)18(17)2)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h7,17-18,20-23,31H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,18+,20+,21-,22+,23+,27+,28-,29+,30-/m1/s1
InChIKey	OJUYFGQEMPENCE-DPKHZRJYSA-N
Formula	C₃₀H₄₆O₅
HBA	3
HBD	3
MW	486.69
Rotatable Bonds	2
TPSA	94.83
LogP	6.15
Number Rings	5
Number Aromatic Rings	0
Heavy Atom Count	35
Formal Charge	0
Fraction CSP3	0.87
Exact Mass	486.33
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Dialium excelsum	Leguminosae/Fabaceae	Plantae	1608024
2	Nauclea latifolia	Rubiaceae	Plantae	43573
3	Canthium multiflorum	Rubiaceae	Plantae	271244
4	Mitragyna stipulosa	Rubiaceae	Plantae	170033
5	Mitragyna stipulosa	Rubiaceae	Plantae	170033
6	Sarcocephalus pobeguinii	Rubiaceae	Plantae	170073

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Kezetas Bankeu JJ, Kenou Kagho DU, et al. (2019). Constituents from Nauclea latifolia with Anti-Haemophilus influenzae Type b Inhibitory Activities.. Journal of natural products,2019, 82(9), 2580-2585. [View] [PubMed]
Awantu A, Lenta B, et al. (2011). Dialiumoside, an Olean-18-ene Triterpenoid from Dialium excelsum. Zeitschrift für Naturforschung B. 2011, 66(6), 624-628. [View]
Mfotie Njoya E, Ndemangou B, et al. (2023). In vitro antiproliferative, anti-inflammatory effects and molecular docking studies of natural compounds isolated from Sarcocephalus pobeguinii (Hua ex Pobég).. Frontiers in pharmacology,2023, 14, 1205414. [View] [PubMed]
Kouam SF, Ngouonpe AW, et al. (2013). Monoterpenes with antibacterial activities from a Cameroonian medicinal plant Canthium Multiflorum (Rubiaceae).. Fitoterapia,2013, 91, 199-204. [View] [PubMed]
Fatima N, Tapondjou LA, et al. (2002). Quinovic acid glycosides from Mitragyna stipulosa--first examples of natural inhibitors of snake venom phosphodiesterase I. Nat Prod Lett. 2002, 16(6), 389-393. [View] [PubMed]
Tapondjou LA, Lontsi D, et al. (2002). Structure-activity relationship of triterpenoids isolated from Mitragyna stipulosa on cytotoxicity.. Archives of pharmacal research,2002, 25(3), 270-274. [View] [PubMed]