ID: 140302
SMILES:c1c(C(=O)C)c2c(cc1)C(C)(C)Oc1ccc(CCCCC)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.448
CB1 binding score: -12.648
InChIKey:TXXHAWOCRNBVON-UHFFFAOYSA-N
ID: 140303
SMILES:Oc1cc(C(C2C(C(C)=C)CCC(C)=C2)=O)c(O)cc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.056
InChIKey:UXSKIDVONGCEGZ-UHFFFAOYSA-N
ID: 140304
SMILES:c1(OC)c(C)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -19.208
InChIKey:DBJJYKXSZRYDDY-UHFFFAOYSA-N
ID: 140305
SMILES:c12c(cc(CCCCC)cc1OC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.823
InChIKey:GRLARWXSTOXAGR-UHFFFAOYSA-N
ID: 140306
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C2(C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.594
InChIKey:GBBIYEKUPBZPNQ-UHFFFAOYSA-N
ID: 140307
SMILES:COC1(O)c2cc(CCCCC)cc(O)c2C2C(C1C)CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.744
InChIKey:WPDUFRVTBOCXGO-UHFFFAOYSA-N
ID: 140308
SMILES:CC(C(Oc1cc(CCCCC)cc2c1-c1c(O)cc(CCC)cc1CC2CC=C(C)C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.674
CB1 binding score: -15.116
InChIKey:NEAGLNWHUHXMGC-UHFFFAOYSA-N
ID: 140309
SMILES:C12C(C)COc3c(c(O)cc(C)c3)C1CC=C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -14.975
InChIKey:RIOOKMHLRLCPIP-UHFFFAOYSA-N
ID: 140310
SMILES:c1c(O)c(C2CC(=O)CC(C)C2)c(O)c2c1OC1c3c(O)cc(CCCCC)cc3OC(C)(C)C1C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.628
CB1 binding score: -13.522
InChIKey:JXDBLOBWJNSTFO-UHFFFAOYSA-N
ID: 140311
SMILES:c1c(CCCCC)cc2c(c1O)OC1C(=O)C2(C)C2(C(C)CCC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.414
InChIKey:YFUPATVPEKLWKQ-UHFFFAOYSA-N
ID: 140312
SMILES:C1C(C(C)(O)C)C(c2c(O)cc(CCC)cc2O)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.168
InChIKey:BMEOABJGGIYLGA-UHFFFAOYSA-N
ID: 140313
SMILES:CC(Cc1c(O)c(O)c2c(c1)OC(C)(C)C1CCC(C)(O)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -17.334
InChIKey:OTEPAGJXPQEQOL-UHFFFAOYSA-N
ID: 140314
SMILES:C1(CO)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 140315
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 140316
SMILES:C(C)CCCc1cc(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: 140317
SMILES:c12c(cc(CCCCC)cc1OC(C)=O)OC1(C)C(=O)C(OC(=O)C)C3(C)C2C(OC(c2ccccc2)=O)C(C(C)C)CCC31C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 632.794
CB1 binding score: -14.79
InChIKey:DYPJMWVABXIOCB-UHFFFAOYSA-N
ID: 140318
SMILES:C12(C(=O)C3(O)c4c(CCCCC)cc(O)cc4OC(C)(C)C3CC1)CCC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.3
InChIKey:NQFBFTFRLJKOKU-UHFFFAOYSA-N
ID: 140319
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1CC(C2CO)C2(O)C1(C)CC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -17.179
InChIKey:ULHVZHCFEOTROG-UHFFFAOYSA-N
ID: 140320
SMILES:O1c2cc(CCCCC)cc(O)c2CC=C(C)C=CC1C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.929
InChIKey:PJWDATPIBQIWCR-UHFFFAOYSA-N
ID: 140321
SMILES:C(CCCC)c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 140322
SMILES:C12C=CC(Br)C(C)(C)C1(C)Oc1c2c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 323.23
CB1 binding score: -15.518
InChIKey:UHLRBFFDUTVWMQ-UHFFFAOYSA-N