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Summary Geometry Related PDB entries

1YL

Summary

Name:	Dihydrotanshinone I
Synonyms:	(1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione
Formula:	C18 H14 O3
Formal charge:	0
Formula weight:	278.302 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione
OpenEye OEToolkits	1.7.6	(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c3c(C=1OCC(C=1C2=O)C)ccc4c(cccc34)C
InChI	InChI	1.03	InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKey	InChI	1.03	HARGZZNYNSYSGJ-JTQLQIEISA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H]1COC2=C1C(=O)C(=O)c3c2ccc4c(C)cccc34
SMILES	CACTVS	3.385	C[CH]1COC2=C1C(=O)C(=O)c3c2ccc4c(C)cccc34
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C
SMILES	OpenEye OEToolkits	1.7.6	Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OCC4C

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