7G0

(1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol

Created:	2016-10-19
Last modified:	2017-01-18

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1 entries where 7G0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	4
Bond Count	42
Aromatic Bond Count	6

2D diagram of 7G0

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Chemical Component Summary
Name	(1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
Systematic Name (OpenEye OEToolkits)	(1~{S},3~{a}~{S},5~{S},7~{a}~{S})-5-(4-hydroxyphenyl)-7~{a}-methyl-1,2,3,3~{a},4,5,6,7-octahydroinden-1-ol
Formula	C₁₆ H₂₂ O₂
Molecular Weight	246.345
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(ccc(c1)C2CC3C(CC2)(C(CC3)O)C)O
SMILES	CACTVS	3.385	C[C]12CC[CH](C[CH]1CC[CH]2O)c3ccc(O)cc3
SMILES	OpenEye OEToolkits	2.0.6	CC12CCC(CC1CCC2O)c3ccc(cc3)O
Canonical SMILES	CACTVS	3.385	C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(O)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O
InChI	InChI	1.03	InChI=1S/C16H22O2/c1-16-9-8-12(10-13(16)4-7-15(16)18)11-2-5-14(17)6-3-11/h2-3,5-6,12-13,15,17-18H,4,7-10H2,1H3/t12-,13-,15-,16-/m0/s1
InChIKey	InChI	1.03	CEOUGJNTPKXUFS-SDADXPQNSA-N

Related Resource References

Resource Name	Reference
PubChem	44590574
ChEMBL	CHEMBL460833
CCDC/CSD	HONZUH

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.