ID: 55168
SMILES:c1(-c2c(C3C=C(C)CCC3C(C)C)c(O)c(C3C(C(C)C)CCC(C)=C3)cc2)cccc(C(C)(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 498.795
CB1 binding score: -15.633
InChIKey:BZGPWEJOIJFUHZ-UHFFFAOYSA-N
ID: 55169
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.879
InChIKey:HYYDCLOBHZARQC-UHFFFAOYSA-N
ID: 55170
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CC=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -18.19
InChIKey:XBLYAPBQCSTJSG-UHFFFAOYSA-N
ID: 55171
SMILES:c1c(O)c2c(c(COC(CC(C)C)=O)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.079
InChIKey:MPINPEHDUDHQSX-UHFFFAOYSA-N
ID: 55172
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.084
InChIKey:VUONALOBDIRTES-UHFFFAOYSA-N
ID: 55173
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 55174
SMILES:C12(C)C(O)CCC(C)=C1C(=O)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.011
InChIKey:ILOQMXXQMOTINY-UHFFFAOYSA-N
ID: 55175
SMILES:C1=C2C(C(C)C)CCC(O)(C)C2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 344.495
CB1 binding score: -15.154
InChIKey:APOXUMGRWYQERK-UHFFFAOYSA-N
ID: 55176
SMILES:Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 55177
SMILES:CC1(C)C(CC=C(C)C)CC2c3c(cc(OC)cc3)OC2(C)CC=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.155
InChIKey:BINLHHPBMJVBLE-UHFFFAOYSA-N
ID: 55178
SMILES:C=C(Cc1c(OC)cc(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -15.12
InChIKey:BWUZBJHVSPMZNW-UHFFFAOYSA-N
ID: 55179
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C(O)C1)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.385
CB1 binding score: -17.13
InChIKey:XQHWKOCLRKMSHJ-UHFFFAOYSA-N
ID: 55180
SMILES:Oc1c2c(cc(CCCCC)c1O)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.551
InChIKey:MQJCPQWXBBZKAJ-UHFFFAOYSA-N
ID: 55181
SMILES:C12C(C)(C)Oc3cc(CCCC)cc(O)c3C1C=C(C)C(=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.144
InChIKey:QVOHZXGDRQEEJT-UHFFFAOYSA-N
ID: 55182
SMILES:c1(O)c(OC)ccc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.334
InChIKey:GFQYLAVBKLTRDE-UHFFFAOYSA-N
ID: 55183
SMILES:C(=C(C)C)CCC1(CO)C2C(c3c(O)cc(CCCCC)cc3O1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.278
InChIKey:XTZBPXDXXUZLCA-UHFFFAOYSA-N
ID: 55184
SMILES:c1(C(OC)C)cc2c(c(OC)c1)C=CC(C)(CCC=C(CCC=C(C)C)C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.535
InChIKey:PJTDXSGXANTJPZ-UHFFFAOYSA-N
ID: 55185
SMILES:Oc1c(C(C(CC)C)=O)c(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.078
InChIKey:ZJYYXCGFEUARDG-UHFFFAOYSA-N
ID: 55186
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 55187
SMILES:c1(CC=C(C)CCC=C(C)C)c2c(cc(OC)c1)OC(C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.9
InChIKey:XPXIACVXEOWHND-UHFFFAOYSA-N
ID: 55188
SMILES:C1C(=O)C(C)=CC2C1C(C)(C)Oc1c2c(O)c(CC=C(C)C)c(OC)c1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -15.644
InChIKey:VSMQJIAOYAJTJF-UHFFFAOYSA-N