ID: 138433
SMILES:C(CC(OC1CCC=CC1=O)=C)(C)=CC(=O)CC(=CCc1cc(O)cc(C)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.51
CB1 binding score: -15.211
InChIKey:IAFILKVCOIOTIZ-UHFFFAOYSA-N
ID: 138434
SMILES:C1=C(C)C2C(=O)c3c(O)c(C(O)=O)c(CCCCC)cc3OC2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -16.702
InChIKey:IKQWWVNCXRDGIC-UHFFFAOYSA-N
ID: 138435
SMILES:C1(O)C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.238
InChIKey:BJYXQJGARPKCEI-UHFFFAOYSA-N
ID: 138436
SMILES:c12cccc(C#CC(C)=C)c1OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 292.422
CB1 binding score: -13.097
InChIKey:KQVYOAKHWNSDAQ-UHFFFAOYSA-N
ID: 138437
SMILES:C1(C)(C)C2(Oc3c(Br)c(OC)cc(OC)c31)C(CC=C(C)C)C(C)(CCC=C(C)C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 655.714
CB1 binding score: -14.502
InChIKey:HSIGOQNWJIWSAY-UHFFFAOYSA-N
ID: 138438
SMILES:C(Cc1c(O)c(C2C(C(C)=C)CCC(CCC=C(C)C)=C2)c(O)c(C(CCC)=O)c1O)(CC(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.688
CB1 binding score: -15.553
InChIKey:RALFQMAWSNOEFP-UHFFFAOYSA-N
ID: 138439
SMILES:C(C)(=CCCC(=CCc1c(O)cc(CCCCC)cc1OC)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -19.49
InChIKey:KASVLYINZPAMNS-UHFFFAOYSA-N
ID: 138440
SMILES:c1(C(C=C)(C)CCC=C(C)C)c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 330.512
CB1 binding score: -16.475
InChIKey:ZJPDHCKNSIFJFP-UHFFFAOYSA-N
ID: 138441
SMILES:CC1(C)C2C(CC(C)=CC2)c2cc(C(C)C)c(O)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.078
InChIKey:TVSFJCJSCCRQQD-UHFFFAOYSA-N
ID: 138442
SMILES:c1(O)c2c(cc(CCCCC)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: 138443
SMILES:C1C(COC(=O)C)=CCC(C(C=CC=C(C)C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.528
InChIKey:JQKNAOQBLIUVGD-UHFFFAOYSA-N
ID: 138444
SMILES:C1C(C(C)(C)O)C(c2c(O)cc(CCCCC)cc2O)CC(C=O)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.605
InChIKey:IKZZKHDVGWFHIM-UHFFFAOYSA-N
ID: 138445
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)=CC12)CC(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.824
InChIKey:HGCRVLDWCBAZTM-UHFFFAOYSA-N
ID: 138446
SMILES:Cc1cc(OC)c(C2C=C(C)CCC2C(C)(O)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -16.918
InChIKey:SGWBYCBDWYLPOP-UHFFFAOYSA-N
ID: 138447
SMILES:Oc1c(C2C(C(=C)C)CCC2C)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.169
InChIKey:WJFBWJLEMRMRTC-UHFFFAOYSA-N
ID: 138448
SMILES:C1C(C)(C)OC12Oc1cc(CCCCC)cc(O)c1C2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.495
InChIKey:CLJZAXQUSAPZJM-UHFFFAOYSA-N
ID: 138449
SMILES:CC1(C)C2=CCC(C)CC2c2c(O)cc(CCC)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.831
InChIKey:ZKAZYEAKFHSXMH-UHFFFAOYSA-N
ID: 138450
SMILES:CC(=CCCC(C)C12CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC2=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.873
InChIKey:JRUUKCIJHYOCGG-UHFFFAOYSA-N
ID: 138451
SMILES:C12C3OC3(C(C)C)CCC1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.478
InChIKey:HDDKUNCYOHKJSI-UHFFFAOYSA-N
ID: 138452
SMILES:C1C(C(=C)C)C2c3c(cc(CCCCC)cc3OC(C)=O)OC(C)(CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -13.721
InChIKey:MCWODNXLAQAMSH-UHFFFAOYSA-N
ID: 138453
SMILES:C(C1CCC(C)=C(CC2c3c(O)cc(CCCCC)cc3OC2=O)C1=O)=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -15.772
InChIKey:VWYJBVGXHDZOQU-UHFFFAOYSA-N