Details of Natural Product (NP)

General Information of Natural Product (ID: NP2055)
Natural Product Name	5-Methylmellein
Synonyms	5-Methylmellein\|7734-92-1\|UNII-461BW4X8WN\|461BW4X8WN\|CHEMBL461985\|(3R)-8-hydroxy-3,5-dimethyl-3,4-dihydroisochromen-1-one\|(R)-8-hydroxy-3,5-dimethylisochroman-1-one\|1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3,5-dimethyl-, (R)-\|Mellein, 5-methyl-\|(-)-5-Methylmellein\|(?)-5-Methylmellein\|(3R)-5-Methylmellein\|DTXSID50564248\|BDBM50523994\|ZINC13460742\|EX-3307\|Q27258884\|Isocoumarin, 3,4-dihydro-8-hydroxy-3,5-dimethyl-, (R)-\|(3R)-8-Hydroxy-3,5-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one\|1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3,5-dimethyl-, (3R)- Click to Show/Hide
Formula	C₁₁H₁₂O₃
Weight	192.21
Structure
Structure	3D Structure Download		2D Structure Download
InChI	InChI=1S/C11H12O3/c1-6-3-4-9(12)10-8(6)5-7(2)14-11(10)13/h3-4,7,12H,5H2,1-2H3/t7-/m1/s1
InChI Key	YETSBBYQOFXYGV-SSDOTTSWSA-N
Isomeric SMILES	C[C@@H]1CC2=C(C=CC(=C2C(=O)O1)O)C
Canonical SMILES	CC1CC2=C(C=CC(=C2C(=O)O1)O)C
External Links	PubChem ID	14807789
	CAS ID	7734-92-1
	NPASS ID	NPC291454
	CHEMBL ID	CHEMBL461985
NP Activity Charts	Click to show/hide
Activity Info

The Content Variation of Natural Product Induced by Different Factor(s)
*Species Name: Xylaria* sp. G12**
	Factor Name: PDB Medium				[1]
Species Info Factor Info
Experiment Detail		The endophytic fungus Coniothyrium sp., internal strain No. zw86, was isolated from the plant Salsola oppostifolia, growing on Gomera, in the Canary Islands. It was cultivated on 12 l of 5% w/v biomalt solid agar medium at room temperature for 28 days. Click to Show/Hide
Factor			Part	Location		NP Content
PDB Medium (25 degrees Celsius + 21Days)			branch	Songkhla province, Thailand		NP Content: 6.8 mg

References
1	Indanone and mellein derivatives from the Garcinia-derived fungus Xylaria sp. PSU-G12