ID: 114724
SMILES:OC1C(O)CCC2C(CS(=O)(O)=O)(C)Oc3cc(C)cc(O)c3C2C1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.504
CB1 binding score: -15.856
InChIKey:NLAYJEANPHWMBH-UHFFFAOYSA-N
ID: 114725
SMILES:CCCCCc1cc(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: 114726
SMILES:c12c(cc(CCCCC)cc1O)OC1(C)CCC(C(O)(C)C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.714
InChIKey:WHDCWMKMQFXAGU-UHFFFAOYSA-N
ID: 114727
SMILES:O=C1c2c(O)c(C(=O)O)c(CCCCCC)c(C)c2OC(C)(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -16.941
InChIKey:XVKVWMZTGRNKIE-UHFFFAOYSA-N
ID: 114728
SMILES:C(C=CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC1O2)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.974
InChIKey:DGYCARPHTQMUJE-UHFFFAOYSA-N
ID: 114729
SMILES:C1(CC=C(C)C)C(c2cc(CCCCC)ccc2)C(O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -14.92
InChIKey:QJOFYWRORKELKQ-UHFFFAOYSA-N
ID: 114730
SMILES:C1(O)C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -14.552
InChIKey:MRVPSRLMKWYLGO-UHFFFAOYSA-N
ID: 114731
SMILES:c1(C)c(C=O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -15.929
InChIKey:LJVGYBJMYQNXFY-UHFFFAOYSA-N
ID: 114732
SMILES:C12(C)CCC(C(C)C)C(c3c(O)cc(CCCCC)cc3O1)CC2CCCC=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.874
InChIKey:OMDRIOZCIJUYCX-UHFFFAOYSA-N
ID: 114733
SMILES:C(C(C(=O)c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.913
InChIKey:GRLUWHHAVNAJCO-UHFFFAOYSA-N
ID: 114734
SMILES:C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.481
InChIKey:AGQCVEPLTCYBIM-UHFFFAOYSA-N
ID: 114735
SMILES:C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 114736
SMILES:C(Cc1cc(O)c(C2CC(C)=CC(=O)C2C(C)=C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.71
InChIKey:BNQBMPHSPNJQFE-UHFFFAOYSA-N
ID: 114737
SMILES:CC(=C)C1C(c2c(O)cc(CCC)cc2O)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.748
InChIKey:ORIYPICUSOGUOA-UHFFFAOYSA-N
ID: 114738
SMILES:c1c(CCCCC)cc2c(c1O)OC1(C)CCC(Br)C(C)(C)C1C2Cl
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 429.826
CB1 binding score: -15.104
InChIKey:OXZSNBOCQREKRG-UHFFFAOYSA-N
ID: 114739
SMILES:O(c1cc(O)cc(CCCCC)c1-c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -15.344
InChIKey:BRBDIPSQDKHTIE-UHFFFAOYSA-N
ID: 114740
SMILES:CC(CC1C(C(C)=C)C(c2ccc(CCCCC)cc2OC)OC1=O)CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.833
InChIKey:YTIJAHDXGKOZEX-UHFFFAOYSA-N
ID: 114741
SMILES:Oc1cc(C2C=C(C)CCC2C(C)=CCC=C(C)C)c(O)c(C(=O)CCC(CC)C)c1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -14.179
InChIKey:LQWJSORAGICITR-UHFFFAOYSA-N
ID: 114742
SMILES:c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 114743
SMILES:C1=C(C)CCC(C)(CO)CC2C(C(C)(C)Oc3ccc(O)c(C(CC(C)C)=O)c32)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.127
InChIKey:PCVDKLKDLFMLTG-UHFFFAOYSA-N
ID: 114744
SMILES:CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N