ID: 54769
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 54770
SMILES:CC(C)C1=CC=C(C)CC1c1c(O)cc(CCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.103
InChIKey:RZZSXTZYZOKYOP-UHFFFAOYSA-N
ID: 54771
SMILES:Oc1c(C(=O)CC(C)C)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.051
InChIKey:REAKWCAABJGCRO-UHFFFAOYSA-N
ID: 54772
SMILES:C(C)Cc1cc(OC)c2c(c1)OC1(C)C(C(C)(C)C(OC(=O)C)CC1=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.654
InChIKey:SAGGCXFUSJYIOW-UHFFFAOYSA-N
ID: 54773
SMILES:CCCCCc1c(C(=O)O)c(O)c(CC=C(CCC=C(C)C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -19.037
InChIKey:VAFRUJRAAHLCFZ-UHFFFAOYSA-N
ID: 54774
SMILES:C1=C(C)CCC(C(C)=C)C1c1c(O)cc(O)cc1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.798
InChIKey:KDZOUSULXZNDJH-UHFFFAOYSA-N
ID: 54775
SMILES:COc1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.454
InChIKey:VZFRXICVQKCJBK-UHFFFAOYSA-N
ID: 54776
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 54777
SMILES:CC1(C)C(C(C(=CC)C)O)=C(O)C2=C1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.513
InChIKey:JEDMYCXGMQBXMG-UHFFFAOYSA-N
ID: 54778
SMILES:C(CCC(C)=CCc1cc(O)c(C)cc1O)=C(C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -18.545
InChIKey:ZEZZPXAGNBATNY-UHFFFAOYSA-N
ID: 54779
SMILES:O=C(Oc1cc2c(cc1)OC(C)(C)C1CCC(C)=CC1C2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.024
InChIKey:MKQCBGFSYBBAIG-UHFFFAOYSA-N
ID: 54780
SMILES:C12c3c(cc(CCCCC)cc3OC)OC(C)(C)C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.649
InChIKey:PZISBQNYZHUZDW-UHFFFAOYSA-N
ID: 54781
SMILES:c1(CCCCC)cc(OC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.718
InChIKey:DHCOYZHBIJNXSH-UHFFFAOYSA-N
ID: 54782
SMILES:CCCCCc1cc2c(c(O)c1)C1CC(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.233
InChIKey:LXSFNMQURHTPIT-UHFFFAOYSA-N
ID: 54783
SMILES:O=C1C=C(C)C2(Oc3c(c(O)cc(CCCCC)c3)C2)C2(C)CCC(=O)C(C)(C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -12.506
InChIKey:BVVHCZBOJWANIV-UHFFFAOYSA-N
ID: 54784
SMILES:C(CC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C)=CC(C)(C)OO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -15.678
InChIKey:GXUZLZGZUCNHRZ-UHFFFAOYSA-N
ID: 54785
SMILES:C1=C(C)CCC2C1C(C)(C)Oc1cc(CCCCC)ccc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.381
InChIKey:VUTIFROFQCMTFF-UHFFFAOYSA-N
ID: 54786
SMILES:C12(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCCC)c4)C3C1CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.441
InChIKey:QQESTDGXDLYVAQ-UHFFFAOYSA-N
ID: 54787
SMILES:C(Cc1c2c(c(O)cc1O)C1C(CCC(CO)=C1)C(C)(C)O2)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -17.045
InChIKey:PREGRJLYGGFCFE-UHFFFAOYSA-N
ID: 54788
SMILES:c12c(c(=O)cc(CCCCC)cc1O)OC(C)(C)C1CCC(C=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.907
InChIKey:XTONVFUIBNTWGC-UHFFFAOYSA-N
ID: 54789
SMILES:c1(O)cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(=C)CO2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.421
CB1 binding score: -15.374
InChIKey:MHICQQYOYVTNJZ-UHFFFAOYSA-N