ID: 72094
SMILES:C(C1Oc2c(ccc(CCCCC)c2)C(C)C1(C)N(C(C=CC)=O)C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 357.538
CB1 binding score: -15.106
InChIKey:HVELFCMBHBAIME-UHFFFAOYSA-N
ID: 72095
SMILES:C1CC(OC)C(C)=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.697
InChIKey:NOGGDRNSQUUAQN-UHFFFAOYSA-N
ID: 72096
SMILES:C1(C)=CC2(C(C)(C)Oc3cc(CCCCC)c(C=O)c(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.798
InChIKey:RYZWFXIQZVAWIY-UHFFFAOYSA-N
ID: 72097
SMILES:O(C(C)=O)C(C)(COC(c1ccccc1)=O)C1CCC(C)C12Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.628
CB1 binding score: -15.378
InChIKey:PTWAUHVOGFVCTO-UHFFFAOYSA-N
ID: 72098
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.696
InChIKey:WNKDAZLOXAUXJL-UHFFFAOYSA-N
ID: 72099
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.731
InChIKey:IXXNFYFUNGAYGX-UHFFFAOYSA-N
ID: 72100
SMILES:C=C1C2(O)CCC(C)C3(O)C(c4c(cc(CCCCC)cc4O)O3)C2C2(O)CC1OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.524
CB1 binding score: -15.341
InChIKey:OEGVSLWVAARZKB-UHFFFAOYSA-N
ID: 72101
SMILES:c12c(c3c(cc(CCCCC)cc3O)OCC(C)=C1)occ2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.726
InChIKey:XJLOBGRQMNTLBE-UHFFFAOYSA-N
ID: 72102
SMILES:CC(C)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)C2CC2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.426
InChIKey:IRXKTNYMVIYICJ-UHFFFAOYSA-N
ID: 72103
SMILES:c1(CCCCC)cc2c(c(O)c1C(O)=O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.249
InChIKey:PQULFCBTMRPCRZ-UHFFFAOYSA-N
ID: 72104
SMILES:C1C(C(=O)OC)(C)C(C(=O)C)C(c2c(O)ccc(CCCCC)c2)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.594
InChIKey:OGIUPQXHPPJEEN-UHFFFAOYSA-N
ID: 72105
SMILES:CC12Cc3c(O)cc(C)cc3OC(C)(C)C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.295
InChIKey:RKTCOIBKLPCABK-UHFFFAOYSA-N
ID: 72106
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC2=C(C)CCCC2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.926
InChIKey:QVVIDMCAUOYXFT-UHFFFAOYSA-N
ID: 72107
SMILES:c1c(CC=C(C)CCC=C(C)C)c(OC)cc2c1C1=C(C(C)(C)O2)CC(O)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -17.372
InChIKey:WPVNAGGUJCYSJK-UHFFFAOYSA-N
ID: 72108
SMILES:C1C2C(C)(OC(=O)C)CC1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.178
InChIKey:WPPGLKZFDSUAQK-UHFFFAOYSA-N
ID: 72109
SMILES:c1ccc(CCCC(CCCC2(C)Oc3c(C)cc(O)cc3CC2)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 366.545
CB1 binding score: -16.361
InChIKey:HVVAPYQGGIUJJH-UHFFFAOYSA-N
ID: 72110
SMILES:c1(OC)c(C=O)c2c(c3c1OC(C)(C)C=C3)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -14.548
InChIKey:RKUUTMTXYXZLBC-UHFFFAOYSA-N
ID: 72111
SMILES:Oc1c2c(c(C(C(C)C)=O)c(O)c1C=O)CC(c1c(O)cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.562
CB1 binding score: -15.358
InChIKey:LOIQIIQJUSQQQW-UHFFFAOYSA-N
ID: 72112
SMILES:C1C(C)=CC2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 72113
SMILES:O=C1c2c(O)c(O)c(CCCCC)cc2OC(C)(C)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.347
CB1 binding score: -15.111
InChIKey:NSFBPSISPCQWJM-UHFFFAOYSA-N
ID: 72114
SMILES:C1CC(=C)CC2c3c(OC)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.978
InChIKey:KBHYWFRGGLCWNO-UHFFFAOYSA-N