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

HUL

Summary

Name:	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
Synonyms:	Hispidulin
Formula:	C16 H12 O6
Formal charge:	0
Formula weight:	300.263 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
OpenEye OEToolkits	1.9.2	2-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2
InChI	InChI	1.03	InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
InChIKey	InChI	1.03	IHFBPDAQLQOCBX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3
SMILES	CACTVS	3.385	COc1c(O)cc2OC(=CC(=O)c2c1O)c3ccc(O)cc3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O
SMILES	OpenEye OEToolkits	1.9.2	COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O

218500

PDB entries from 2024-04-17

PDB statistics

PDBj update info

Contact PDBj

numon