ID: 57037
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 57038
SMILES:C(OC)(C1(C)CCCC2(C)C3C(=CCC21C)c1c(OC)cc(CCCCC)cc1O3)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -16.535
InChIKey:QVKGKTLKIWJNMV-UHFFFAOYSA-N
ID: 57039
SMILES:C(CC=C(C)C)C(C)=CCOc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.707
CB1 binding score: -15.511
InChIKey:CBXMLZRKUHXPGC-UHFFFAOYSA-N
ID: 57040
SMILES:C(CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.956
InChIKey:ZKWJTCFAAXQQLZ-UHFFFAOYSA-N
ID: 57041
SMILES:c1(C)c2c(ccc1)C(NC)C(C)(C)Oc1cc(CCCCC)cc(c12)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.506
CB1 binding score: -13.267
InChIKey:MXWVEDWUNQKKLU-UHFFFAOYSA-N
ID: 57042
SMILES:c1(O)cc2c(cc1O)-c1c(cc(CCCCC)cc1O)OC(C)(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.878
InChIKey:AWOROYKYXYWGEP-UHFFFAOYSA-N
ID: 57043
SMILES:C1=Cc2c(c(O)c(O)cc2)OC1(C)CCC=C(CCC1C(C)(C)O1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.47
InChIKey:ZPKUOLBYOQSCQI-UHFFFAOYSA-N
ID: 57044
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.73
InChIKey:FIPBXVBQTMSTCS-UHFFFAOYSA-N
ID: 57045
SMILES:C1C(C)(C)C2C(=CC1)c1c(O)cc(CCCCC)cc1CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.842
InChIKey:YHCGZXVGIAFBCX-UHFFFAOYSA-N
ID: 57046
SMILES:C(OCc1cc(O)c2c(c1C)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.078
InChIKey:WXWIEDULRSSQAK-UHFFFAOYSA-N
ID: 57047
SMILES:O=C(c1ccccc1[N+](=O)O)OC1C(C)C2CCC(C)C3C(c4c(O)cc(CCCCC)cc4O1)OC32
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.607
CB1 binding score: -13.951
InChIKey:ZWSDOEOPFQIVGN-UHFFFAOYSA-O
ID: 57048
SMILES:Oc1c(C2C=C(C)CCC2C(=C)C)c(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.37
InChIKey:ULQWKPNMRGLZSR-UHFFFAOYSA-N
ID: 57049
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C(=O)O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.532
InChIKey:VQHMFOOASCCVRX-UHFFFAOYSA-N
ID: 57050
SMILES:C12CC(C=O)=CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.255
InChIKey:BGIBNWZALWRTHR-UHFFFAOYSA-N
ID: 57051
SMILES:Oc1c(CC=C(C)C)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.281
InChIKey:XRMAOXZXTDWHKU-UHFFFAOYSA-N
ID: 57052
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 57053
SMILES:CC(=CC1(c2c(C)c(CCCCC)ccc2O)Oc2c(cccc2)C1)C=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.485
CB1 binding score: -14.933
InChIKey:PJCUGJIANRXTLY-UHFFFAOYSA-N
ID: 57054
SMILES:C(O)(c1c(O)c2c(c(OC)c1)C1C(C(C)(C)O2)CCC(C)(O)C1CC=C(C)C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -15.292
InChIKey:WYISVUFIJJKVHS-UHFFFAOYSA-N
ID: 57055
SMILES:C=C(C1CCC2(C)C(C1c1c(O)cc(O)cc1CCCCC)C(=C)CC2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -12.721
InChIKey:GMYGQCQBYHLUEE-UHFFFAOYSA-N
ID: 57056
SMILES:C1CC(C(=O)O)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.321
CB1 binding score: -14.655
InChIKey:OZMSEPPOPJYUTI-UHFFFAOYSA-N
ID: 57057
SMILES:Oc1c(C2C(C(CCC=C(C)C)C)CCC(C)=C2)c(O)cc(C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.189
InChIKey:KBQGVQKKDGZVJQ-UHFFFAOYSA-N