ID: 83014
SMILES:C(C1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCCC)c3)CC1)#N
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 339.479
CB1 binding score: -15.268
InChIKey:KXNPRHWZIGNKGW-UHFFFAOYSA-N
ID: 83015
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)(O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 83016
SMILES:C(C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.706
InChIKey:CREXFHHKCDNSEB-UHFFFAOYSA-N
ID: 83017
SMILES:C1CC=C(C)CCC2C(C)(Oc3c2c(O)cc(CCCCC)c3)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.37
InChIKey:QLIOHJOVBAMGRR-UHFFFAOYSA-N
ID: 83018
SMILES:c1(CCCCC)cc2c(c(O)c1)C1(CCCC(C)(C)O1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -13.898
InChIKey:SILGEBAUYYIZTB-UHFFFAOYSA-N
ID: 83019
SMILES:CC(=CC)C(C(=O)C1C(c2c(OC)ccc(CCCCC)c2)C=CC1CC)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.713
InChIKey:INBGRKLDMWIHEI-UHFFFAOYSA-N
ID: 83020
SMILES:C1(C)=C2C(OC)(OC(=O)C)c3c(c(C(=O)OC)c(CCCCC)cc3O)OC2C=C(C)CCC1OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 530.614
CB1 binding score: -15.79
InChIKey:CAYPVQMXZHYINL-UHFFFAOYSA-N
ID: 83021
SMILES:O1c2cc(CCCCC)cc(O)c2C2C3C(C)(CCC3(C)C)CCC1C2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.871
InChIKey:JJIIGCOEEAJURC-UHFFFAOYSA-N
ID: 83022
SMILES:c1c(Br)c2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 325.246
CB1 binding score: -13.276
InChIKey:IVVGTBMKWSGDAA-UHFFFAOYSA-N
ID: 83023
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC1C2)(OCC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.254
InChIKey:XVTGBKYXOBBAOM-UHFFFAOYSA-N
ID: 83024
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CCC(=C)C(O1)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.948
InChIKey:VKUGEZMTHBSUGK-UHFFFAOYSA-N
ID: 83025
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 83026
SMILES:C1=CC(C)(C)Oc2c1c(O)cc(CCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 218.296
CB1 binding score: -17.978
InChIKey:CHBXMMKWGIOKEK-UHFFFAOYSA-N
ID: 83027
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 83028
SMILES:C123C(C(C)(C)CCC1)C(c1c(cc(CCCCC)c(C(=O)O)c1O)O2)O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -13.949
InChIKey:YDPSXBFDIKTGTQ-UHFFFAOYSA-N
ID: 83029
SMILES:C1(C)(C)CCCC2(c3c(O)cc(CCCCC)cc3O)OC(=O)C(C)=CC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.324
InChIKey:DZVMWZHYHQTTJZ-UHFFFAOYSA-N
ID: 83030
SMILES:C1C(C(C)=C)C(c2c(O)cc(C)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 83031
SMILES:C1(C)=CC(c2c(O)cc(CC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.786
InChIKey:YURJBXYTSFIOOT-UHFFFAOYSA-N
ID: 83032
SMILES:O=C(CC=CC(C)=CCOc1c2c(c(=O)c(CCC)cc1O)OC(C)(C)C1CC=C(C)CC21)CCS
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.712
CB1 binding score: -12.708
InChIKey:GRLSEJMNSBYQQZ-UHFFFAOYSA-N
ID: 83033
SMILES:C(c1cc(OC(=O)C)c2c(c1)OC(C)(C)C1CCC(C)=CC21)c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.496
CB1 binding score: -16.028
InChIKey:UNHAMVKDKQEELZ-UHFFFAOYSA-N
ID: 83034
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.871
InChIKey:BPSWFRWMKQRVNM-UHFFFAOYSA-N