ID: 71443
SMILES:c1c(CCCCC)c(O)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.041
InChIKey:UMOQSYCBNIIJKH-UHFFFAOYSA-N
ID: 71444
SMILES:c1(CC(OC)(C)C)c(O)c(C(=O)C(C)CC)c(O)c2c1OC1(C)CC=C(CCC=C(C)C)C(C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.677
CB1 binding score: -14.596
InChIKey:MHPJRQPRHQGPGU-UHFFFAOYSA-N
ID: 71445
SMILES:O(CC1=CC2C(C(C)(C)Oc3cc(CCCCCC=C)ccc31)CC=C(C)CC2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -13.759
InChIKey:SAHJMFHURYTILH-UHFFFAOYSA-N
ID: 71446
SMILES:C1(CC2C(C)(C)Oc3cc(CCC(=O)OC)cc(O)c3C2O)=CC(=O)C=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.454
CB1 binding score: -15.026
InChIKey:BQZFQTXBYIJUAZ-UHFFFAOYSA-N
ID: 71447
SMILES:C(CCc1cc(O)c2c(c(C)c(O)c(C)c2)c1C=C1OC(C)(C)C(Cl)C1)C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.988
CB1 binding score: -15.929
InChIKey:AUCVFHBCTRBZAE-UHFFFAOYSA-N
ID: 71448
SMILES:CC12CCC(O)C(C)(C)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.217
InChIKey:GMCZBFLTCTYUNF-UHFFFAOYSA-N
ID: 71449
SMILES:C1(O)C(O)C(CO)OC(OC(=O)C2C(C)(C)Oc3c(c(O)cc(CCC)c3)C(O)C2O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.487
CB1 binding score: -13.658
InChIKey:LLCSUQSCTTZCCM-UHFFFAOYSA-N
ID: 71450
SMILES:C(C)COC(c1c(O)c2c(cc1CCCCC)OC(C1=CCCC(C=O)=CC1)O2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -13.936
InChIKey:BSUYKFJSHWSNJC-UHFFFAOYSA-N
ID: 71451
SMILES:C(C1(C)CC2(c3c(cc(CCCCC)cc3O)OC(C)(C)C=C2)OC1)CC=C(C)CO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.928
InChIKey:NPPCYWZCURTLBT-UHFFFAOYSA-N
ID: 71452
SMILES:CC1C23C4CC(C)(C)CCC5(OC5OC45C2(C(=O)O5)O1)c1c(cc(CCCCC)cc1OC(=O)C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.572
CB1 binding score: -13.169
InChIKey:YAFFCTQXEADISU-UHFFFAOYSA-N
ID: 71453
SMILES:c1c(CCCC(C)=CCc2c(OC)c(C)cc(OC)c2)cc(O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.7
CB1 binding score: -14.793
InChIKey:KEYGTOIKSGRBFB-UHFFFAOYSA-N
ID: 71454
SMILES:C(=CCC1C2(c3c(cc(CCC)cc3O)OC2)OC1C)C=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.358
InChIKey:GIOIMWMGCYIWOE-UHFFFAOYSA-N
ID: 71455
SMILES:C1(C)(C)C2CC=C(C(O)=O)CC2c2c(O)cc(CCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.975
InChIKey:DHXIVHTVASKKFZ-UHFFFAOYSA-N
ID: 71456
SMILES:C(CCCCC)C(c1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.634
InChIKey:SNMCFCYBQYFDJS-UHFFFAOYSA-N
ID: 71457
SMILES:C(CCC)c1cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.642
InChIKey:SPASQAHJKSUWKO-UHFFFAOYSA-N
ID: 71458
SMILES:c1(CCC)cc(O)c(C2C=C(CO)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.987
InChIKey:RVSDLGGWUBIOAS-UHFFFAOYSA-N
ID: 71459
SMILES:OCC1CCc2c(O)cc(CCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 220.312
CB1 binding score: -16.502
InChIKey:DGEZNXUAOKBLND-UHFFFAOYSA-N
ID: 71460
SMILES:CC(C)=CCc1c(O)c2c(c(CC=C(C)CCC=C(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 464.69
CB1 binding score: -15.62
InChIKey:JOGVALMIAVVRHP-UHFFFAOYSA-N
ID: 71461
SMILES:c12c(-c3ccc(C)cc3)cc(CCCC)cc1OC1(C)CC2C(=C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.568
CB1 binding score: -15.754
InChIKey:ZYNFFUWLXKGJQM-UHFFFAOYSA-N
ID: 71462
SMILES:C(N(CCOc1c2c(cc(CCCC)c1)OC(C)(C)C1CCC(C)=CC12)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.592
CB1 binding score: -18.057
InChIKey:QHVKCFMWIRQJPB-UHFFFAOYSA-N
ID: 71463
SMILES:CC1=Cc2c(O)cc(CCCCC)cc2OC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -16.713
InChIKey:DYLUBVXPAKZOOI-UHFFFAOYSA-N