ANPDB

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3-O-methyl-D-chiro-inositol

Canonical Smiles	COC1[C@H](O)[C@@H](O)C([C@@H]([C@@H]1O)O)O
InChI	InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6+,7?/m0/s1
InChIKey	DSCFFEYYQKSRSV-FEPQRWDDSA-N
Formula	C₇H₁₄O₆
HBA	6
HBD	5
MW	194.18
Rotatable Bonds	1
TPSA	110.38
LogP	-3.18
Number Rings	1
Number Aromatic Rings	0
Heavy Atom Count	13
Formal Charge	0
Fraction CSP3	1.0
Exact Mass	194.08
Number of Lipinski Rule Violations	0

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Tephrosia purpurea	Leguminosae/Fabaceae	Plantae	228354
2	Acacia polyacantha	Leguminosae/Fabaceae	Plantae	875646
3	Acacia polyacantha	Leguminosae/Fabaceae	Plantae	875646
4	Angylocalyx oligophyllus	Leguminosae/Fabaceae	Plantae	1295187
5	Paullinia pinnata	Sapindaceae	Plantae	290984
6	Tephrosia rhodesica	Leguminosae/Fabaceae	Plantae	556521

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Mambe FT, Na-Iya J, et al. (2019). Antibacterial and Antibiotic Modifying Potential of Crude Extracts, Fractions, and Compounds from Acacia polyacantha Willd. against MDR Gram-Negative Bacteria.. Evidence-based complementary and alternative medicine : eCAM,2019, 2019, 7507549. [View] [PubMed]
Ashu FA, Na-Iya J, et al. (2020). Antistaphylococcal Activity of Extracts, Fractions, and Compounds of Acacia polyacantha Wild (Fabaceae).. Evidence-based complementary and alternative medicine : eCAM,2020, 2020, 2654247. [View] [PubMed]
Lunga PK, Tamokou Jde D, et al. (2014). Antityphoid and radical scavenging properties of the methanol extracts and compounds from the aerial part of Paullinia pinnata.. SpringerPlus,2014, 3, 302. [View] [PubMed]
Atilaw Y, Muiva-Mutisya L, et al. (2017). Four Prenylflavone Derivatives with Antiplasmodial Activities from the Stem of Tephrosia purpurea subsp. Leptostachya. Molecules, 2017, 22(9), 1514. [View]
Wakeu Kweka BN, Jouda JB, et al. (2019). Oligoamide, a new lactam from the leaves of Angylocalyx oligophyllus.. Natural product research,2019, 33(14), 2011-2015. [View] [PubMed]
Atilaw Y, Muiva-Mutisya L, et al. (2020). Prenylated Flavonoids from the Roots of Tephrosia rhodesica. Journal of natural products, 2020, 83(8), 2390–2398. [View]