ID: 52249
SMILES:c1c(CC(C)C)cc(O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.14
InChIKey:FMGXBWXQUOYHHL-UHFFFAOYSA-N
ID: 52250
SMILES:C1C(=O)C2(CCC1(C)C(Br)C)Oc1c(c(O)cc(CCC)c1)C2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 397.309
CB1 binding score: -13.987
InChIKey:LEMVFFHQXLLJPM-UHFFFAOYSA-N
ID: 52251
SMILES:C1(=O)C2(C)CCC(C(C)C)C3C(C3)C2(C)Oc2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -14.164
InChIKey:XKGYKBMQIYBPJX-UHFFFAOYSA-N
ID: 52252
SMILES:C12=C(c3c(cc(CCCC=C)cc3OC)OC1(C)C)C(C)=C(Br)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 403.316
CB1 binding score: -13.729
InChIKey:YDANTTMGKAFMFM-UHFFFAOYSA-N
ID: 52253
SMILES:C(CCC)Cc1cc(O)c(C2C(C(C)=C)CC(O)C(CO)=C2)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.148
InChIKey:JLPUXAXZDFPKSF-UHFFFAOYSA-N
ID: 52254
SMILES:CC1(C)Oc2cc(CCCCC)cc3c2C2C1CC(C)(CC2)C=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.508
CB1 binding score: -16.55
InChIKey:PYHFKRGONFEBKC-UHFFFAOYSA-N
ID: 52255
SMILES:C1(C(C)O)C(C=C(CO)CCC=C(C)C)Oc2c1c(O)cc(CCCCCO)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -13.245
InChIKey:DFXVPLIQMODOBV-UHFFFAOYSA-N
ID: 52256
SMILES:C1C(C)=CC(c2c(O)ccc(CCNC)c2)C(C(=C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 285.431
CB1 binding score: -18.957
InChIKey:ONZQZEOQIONJOK-UHFFFAOYSA-N
ID: 52257
SMILES:Cc1c(Oc2cc(CCCCC)cc3c2OC(CO)(C)CCC3)ccc(O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -13.746
InChIKey:QVJYKSHYPBUJND-UHFFFAOYSA-N
ID: 52258
SMILES:C(C)(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.964
InChIKey:NVOPEPXNFPWHIE-UHFFFAOYSA-N
ID: 52259
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 52260
SMILES:COc1cc(CCC)c(O)c2c1OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: Not available
InChIKey:JWOWQAKPOAWBEQ-UHFFFAOYSA-N
ID: 52261
SMILES:c1c(CCCC)c(C)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.438
CB1 binding score: -12.363
InChIKey:JKAKZKVHVKLMJM-UHFFFAOYSA-N
ID: 52262
SMILES:OC1(C)C2C(O)(CC(C)=CC2)c2c(cc(CCCCC)cc2O)OC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.502
InChIKey:ZVARDDVDCTURKP-UHFFFAOYSA-N
ID: 52263
SMILES:C1CC2(O)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.893
InChIKey:HWIZGPXIMHNBPY-UHFFFAOYSA-N
ID: 52264
SMILES:C(CCC1C(C)(C)Oc2cc(CCCCC)cc(O)c21)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.683
InChIKey:VJKOBDCVNHDERP-UHFFFAOYSA-N
ID: 52265
SMILES:C(C1=CC(c2c(O)cc(CCCCC)cc2O)OC1=O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -16.284
InChIKey:GPRLEBBCQZGGDF-UHFFFAOYSA-N
ID: 52266
SMILES:OC1CC(=O)C2=C(O)C(c3c(O)cc(CCC)cc3O)(CCC(C)=C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -14.639
InChIKey:WPZPXDOYDUCHLK-UHFFFAOYSA-N
ID: 52267
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C(C(CCC=C(C)C)(C)C(OC(C)=O)C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.087
InChIKey:ICMZTYXVVWNSOE-UHFFFAOYSA-N
ID: 52268
SMILES:C(O)C1=CC2C(C(C)(C)Oc3c(c(O)cc(C)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.753
InChIKey:APJDBOWNQREOPS-UHFFFAOYSA-N
ID: 52269
SMILES:O=C1C2C(O)c3c(O)cc(CCCCC)cc3OC(C)(C)C2CCC1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.83
InChIKey:UNGPUTUSLDRFJU-UHFFFAOYSA-N