English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

J8G

Summary

Name:	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
Synonyms:	rhamnetin
Formula:	C16 H12 O7
Formal charge:	0
Formula weight:	316.262 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
OpenEye OEToolkits	2.0.6	2-[3,4-bis(oxidanyl)phenyl]-7-methoxy-3,5-bis(oxidanyl)chromen-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(c2C(C(=C(c1cc(c(O)cc1)O)Oc2cc3OC)O)=O)O
InChI	InChI	1.03	InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
InChIKey	InChI	1.03	JGUZGNYPMHHYRK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
SMILES	CACTVS	3.385	COc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O
SMILES	OpenEye OEToolkits	2.0.6	COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O

218853

PDB entries from 2024-04-24

PDB statistics

PDBj update info

Contact PDBj

numon