ID: 52270
SMILES:C1C2C(C)(C)Oc3c(c(O)cc4c3C(O)CC(O)(C)C4O)C2C1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.777
InChIKey:XYVDLGXIDPWGJP-UHFFFAOYSA-N
ID: 52271
SMILES:c1(O)cc(CCCCC)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.593
InChIKey:RHRYIQNXICLAPT-UHFFFAOYSA-N
ID: 52272
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 52273
SMILES:C1CC2Cc3c(cc(CCCC)cc3O)OC2(C)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -12.466
InChIKey:DVDMOQUZRIFWMM-UHFFFAOYSA-N
ID: 52274
SMILES:C(=C(C)C)CCC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 52275
SMILES:CCCC(C(OCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.506
InChIKey:KRCBVMFCOQKGAR-UHFFFAOYSA-N
ID: 52276
SMILES:C(C12c3c(OC)cc(C)cc3OC(C)(C)C1CC=C(C)C2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.717
InChIKey:WWNKHNTVLKDLCM-UHFFFAOYSA-N
ID: 52277
SMILES:c1c(OC)ccc2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.781
InChIKey:BNQJIOBVNUXALY-UHFFFAOYSA-N
ID: 52278
SMILES:c1(C(CC(C)C)=O)c(O)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -19.167
InChIKey:CFZLDEROOCUHHL-UHFFFAOYSA-N
ID: 52279
SMILES:C(c1c(O)c(O)cc2c1OC(C)(C)C1CCC(C)=CC21)CC(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.754
InChIKey:NNWJHLVQPIJFLH-UHFFFAOYSA-N
ID: 52280
SMILES:c1c(C(O)C(C)C)cc(O)c2c1OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.455
CB1 binding score: -16.017
InChIKey:IFQVELCYINQQJR-UHFFFAOYSA-N
ID: 52281
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 52282
SMILES:O(C(=O)C)c1c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.989
InChIKey:ZTZGBEZKXBIYDU-UHFFFAOYSA-N
ID: 52283
SMILES:C1(C)(C)C(c2c(O)cc(CCCCC)cc2O)OC2(C1)C(C)=CC(=O)CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.888
InChIKey:BFXRCKABADIOKH-UHFFFAOYSA-N
ID: 52284
SMILES:C(C)(CCCC(C)C)=CC(c1c(O)c(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1)Cl
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 433.032
CB1 binding score: -17.163
InChIKey:BZGRVXXYAPSQCQ-UHFFFAOYSA-N
ID: 52285
SMILES:C(Cc1c(O)cc(CCCCC)cc1O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 52286
SMILES:C1(C(C)C)CCC(=C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.51
InChIKey:ABUYMDYRFWRXCE-UHFFFAOYSA-N
ID: 52287
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.27
InChIKey:WPJGAEFIBVPIDI-UHFFFAOYSA-N
ID: 52288
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C(CO)=C)CCC3(C)C(O)CCC12C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.289
InChIKey:BNDHHEUUUBKENK-UHFFFAOYSA-N
ID: 52289
SMILES:OC1C(Br)(C)CC(O)C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C(=O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 495.454
CB1 binding score: -15.581
InChIKey:YXIPCXNSGAYHOB-UHFFFAOYSA-N
ID: 52290
SMILES:C1=CC(=O)C(CCC(=CCc2c(O)c(C)cc(OC)c2)C)=CC1(CCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -13.82
InChIKey:OSGQVEUYHJUANE-UHFFFAOYSA-N