Responsive image

Common name

(1S)-3,5,5-trimethylcyclohex-2-en-1-ol

IUPAC name

(1S)-3,5,5-trimethylcyclohex-2-en-1-ol

SMILES

C1(CC(=CC(C1)O)C)(C)C

Common name

(1S)-3,5,5-trimethylcyclohex-2-en-1-ol

IUPAC name

(1S)-3,5,5-trimethylcyclohex-2-en-1-ol

SMILES

C1(CC(=CC(C1)O)C)(C)C

INCHI

InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h4,8,10H,5-6H2,1-3H3/t8-/m1/s1

FORMULA

C9H16O

Responsive image

Common name

(1S)-3,5,5-trimethylcyclohex-2-en-1-ol

IUPAC name

(1S)-3,5,5-trimethylcyclohex-2-en-1-ol





Molecular weight

140.223

clogP

1.982

clogS

-1.616

Frequency

0.0003





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

20.23

Number of Rings

1

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00029 Xanthophyll Responsive image Dietary Supplements; Micronutrients; Supplements; Xanthophylls are taken for nutritional supplementation, and also for treating dietary shortage or imbalance.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2am9_ligand.mol2 2am9 0.942857 -10.14 C1C[C@@H](O)C=C2CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CC[C@@H]1O)C 22
1zhy_ligand.mol2 1zhy 0.763158 -10.93 C1C[C@@H](CC2=CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CC[C@@H]1[C@H](C)CCCC(C)C)C)O 29
2am9_ligand_frag_0.mol2 2am9 0.756757 -10.14 C1CC(=C[C@@H]2CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3CC[C@@H]1O)C)O 21
2i5f_ligand_1_6.mol2 2i5f 0.74359 -5.54 C1C=C[C@@H]([C@H](C1)O)O 8
110 , 12