ID: 31459
SMILES:BrC1C(C)(C)C2(Cc3c(O)cc(CCCCC)cc3O2)Oc2c1c(O)c(CC(CC(CO)C)O)c(O)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 579.528
CB1 binding score: -16.701
InChIKey:KUHLXOMDOFVIFD-UHFFFAOYSA-N
ID: 31460
SMILES:OC12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.564
InChIKey:ZALNXODQRHJUMH-UHFFFAOYSA-N
ID: 31461
SMILES:c1c(CCCCC)c(O)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.716
InChIKey:MMMBBXWSLJXQAV-UHFFFAOYSA-N
ID: 31462
SMILES:C1C(C)CC2C13c1c(cc(Br)c(CCCCC)c1)OC(C)(C)C3CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 405.42
CB1 binding score: -17.401
InChIKey:QDZZUOUCWIVMCY-UHFFFAOYSA-N
ID: 31463
SMILES:C12C(C)(CCC=C(C)C)Oc3cc(C)cc(O)c3C1C(NC)CCC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.511
CB1 binding score: -13.077
InChIKey:MZDGTCULCAUAOA-UHFFFAOYSA-N
ID: 31464
SMILES:C1CC(C)(C)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 31465
SMILES:C(C(C)(O)C)c1c(O)cc(CCc2cc(O)c(CC=C(C)CCCC(C)(O)C)c(O)c2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -16.207
InChIKey:NEDQGRWPEHKGLW-UHFFFAOYSA-N
ID: 31466
SMILES:Oc1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 31467
SMILES:C1(=O)C2(C)CC(C3C1c1c(cc(CCCCC)cc1O)O3)C(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.288
InChIKey:COROBAAHFQCUOW-UHFFFAOYSA-N
ID: 31468
SMILES:C1(O)C=C(C)CCCC(C)=CC2C1C(C)(C)Oc1cc(CCCCC)ccc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.568
InChIKey:LOBWVNVFXPNXBN-UHFFFAOYSA-N
ID: 31469
SMILES:C1=C(C)C(OC(=O)C)CC=C(C)CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.668
CB1 binding score: -15.947
InChIKey:NVHUYFMORWDNCJ-UHFFFAOYSA-N
ID: 31470
SMILES:O1C(CCC=C(C)CCC=C(C)C)(C)C=Cc2c(cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.577
InChIKey:ZAVOAAFATNUTQZ-UHFFFAOYSA-N
ID: 31471
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(CCC=C(C)C)CC1C(O)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -13.123
InChIKey:AGRZORONNDNLSX-UHFFFAOYSA-N
ID: 31472
SMILES:CC=CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.253
InChIKey:XVXPIHYRYALXDI-UHFFFAOYSA-N
ID: 31473
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.334
InChIKey:JRPARYVCKDQCGY-UHFFFAOYSA-N
ID: 31474
SMILES:c1c(O)c2c(cc1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.766
InChIKey:GNBSKWGIRCMMKP-UHFFFAOYSA-N
ID: 31475
SMILES:C1C(C)(CO)C(c2c(O)cc(CCCCC)cc2O)CC(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -11.848
InChIKey:VHIOMHSWVSQJCL-UHFFFAOYSA-N
ID: 31476
SMILES:c12c3c(ccc(C)c3C)c(C)c3c1CC1C(C)(O2)C=C2CC(C)(C)OC(C)(C)C2CCC3(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.658
CB1 binding score: -13.39
InChIKey:MLDNERTZGBFXOF-UHFFFAOYSA-N
ID: 31477
SMILES:c1(O)cc2c(c(O)c1CCCCC)OC(C)(C)C1CCC(C)(O)C=C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.041
InChIKey:JTIYMTGMKPPWCU-UHFFFAOYSA-N
ID: 31478
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.682
InChIKey:LDSLGHZIOIUHGN-UHFFFAOYSA-N
ID: 31479
SMILES:C1CC2C(C)(C)Oc3cc(CCCC)cc(O)c3C2C(=O)OCC2C(=C)CC(OC(C)=O)C(C(C)C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.659
CB1 binding score: -14.021
InChIKey:OIHBSYJDDKXDNK-UHFFFAOYSA-N