ID: 100045
SMILES:C(CCCCCc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)c(OC)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -14.058
InChIKey:ZRWCTPWKAIKAJJ-UHFFFAOYSA-N
ID: 100046
SMILES:c1(CCCCC)cc(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: 100047
SMILES:Oc1c2c(c(O)cc1C)C1C(CCC(COC(=O)c3c(O)cccc3)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.466
CB1 binding score: -14.103
InChIKey:PFFHVJSLRAKFTA-UHFFFAOYSA-N
ID: 100048
SMILES:C1(C)C(=O)CCC2(C)C(Cc3c(O)cc(CCCCC)cc3O)C(=C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.508
InChIKey:QJNCSCMJBVOEFB-UHFFFAOYSA-N
ID: 100049
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 100050
SMILES:Cc1cc(O)c2c(c1)OC(C)(C)C1C(CC(C)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.83
InChIKey:IOXCCRPVPBBRHQ-UHFFFAOYSA-N
ID: 100051
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)OC(C)(CCC=C(C)C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.038
InChIKey:KOJODVDSFMJFEI-UHFFFAOYSA-N
ID: 100052
SMILES:C(CCCCc1c(C(=O)O)c(O)c(CC=C(CCC=C(C)C)C)c(OC)c1)C(=O)c1ccc(O)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.627
CB1 binding score: -15.161
InChIKey:RCDXLQZFJBOUGD-UHFFFAOYSA-N
ID: 100053
SMILES:CCCCCc1c(O)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.891
InChIKey:BMAQWEMYGMASLF-UHFFFAOYSA-N
ID: 100054
SMILES:C1(OC(=O)C)C2C(C(C)(C)Oc3cc(CCC)cc(O)c32)CCC1(OC(C)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -16.131
InChIKey:MRXQEUYITPSKLA-UHFFFAOYSA-N
ID: 100055
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 100056
SMILES:c1(C=O)c(CCCCC)c2c(c(C=O)c1O)OC(C)(C)C1C2C=C(COC(=O)CCC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -13.63
InChIKey:FTCPQCPAEDBLGK-UHFFFAOYSA-N
ID: 100057
SMILES:O1C2(c3c(cc(CCCCC)cc3O)O1)CCC1C(C)(C)C1C2C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -15.094
InChIKey:WTJNAJNCECFMFU-UHFFFAOYSA-N
ID: 100058
SMILES:C(=CCC1CC(c2c(O)c(C(=O)O)c(CCCCC)cc2O)OC1c1ccccc1)C(CCC=C(C)CCC=C(C)C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 604.828
CB1 binding score: -16.328
InChIKey:XBKVNIBJBWWUNS-UHFFFAOYSA-N
ID: 100059
SMILES:c1(O)cc(CCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 100060
SMILES:C1C=C(C)CCCC(=C)C(O)CC(C(=C)C)c2c(OC)cc(CCCCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.929
InChIKey:VKLWJAQFCGSDMW-UHFFFAOYSA-N
ID: 100061
SMILES:c1(C)ccc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 100062
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)(O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.813
InChIKey:DCJGMCJLEWKZAK-UHFFFAOYSA-N
ID: 100063
SMILES:C(CCC)CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 100064
SMILES:Oc1c2c(cc(CC=C(C)CCC=C(CCC=C(C)C)C)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.691
CB1 binding score: -17.072
InChIKey:VTRGMWJEWQQBBJ-UHFFFAOYSA-N
ID: 100065
SMILES:C(O)CCc1cc2c(c(O)c1)C1CC(=O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -14.807
InChIKey:ORKUBVCJLLTIGI-UHFFFAOYSA-N