ID: 35050
SMILES:CC12CC(C3(C)OC1)COc1c(O)c(C(=O)OC)c(CCCCC)c1c3O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -16.462
InChIKey:AZDICFPSSGVDJU-UHFFFAOYSA-N
ID: 35051
SMILES:C12c3c(cc(CCC)cc3O)OC(C)(C)C1CCC1(C)C2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.919
InChIKey:VJFNJQRZSNXPFP-UHFFFAOYSA-N
ID: 35052
SMILES:C(CCCCC)Cc1cc2c(c(O)c1)C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.209
InChIKey:VPDBCGRUZCACNK-UHFFFAOYSA-N
ID: 35053
SMILES:C(C)(C1CCC(C(=C)C)C2c3c(O)c4c(c(O)c3C1C=C2)CC(C)C(C)(C)O4)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -15.203
InChIKey:FEFFJPFDNGGXKK-UHFFFAOYSA-N
ID: 35054
SMILES:c1(O)c2c(cc(OCC=C(C)CC(O)C=C(C)C)c1)OC(C)(C)C1CCC(C)(O)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -15.036
InChIKey:RRLFRZPXACIROI-UHFFFAOYSA-N
ID: 35055
SMILES:C(CC)Cc1ccc(O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.486
InChIKey:LQQIXCZQOFWRDS-UHFFFAOYSA-N
ID: 35056
SMILES:C(CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.689
InChIKey:WNPKXZGXEILAIQ-UHFFFAOYSA-N
ID: 35057
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 35058
SMILES:C12(c3c(cc(CCC)cc3O)OC1(C)CCC=C(C)C)OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -14.605
InChIKey:ZPRPPJRFHWWYAG-UHFFFAOYSA-N
ID: 35059
SMILES:C1CC(C)(C)C2CC3(c4c(O)cc(CCC)cc4O3)CC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -13.169
InChIKey:BYYGDLJVCDKLLT-UHFFFAOYSA-N
ID: 35060
SMILES:C12=CC(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.173
InChIKey:ZIBVZAUHXJEMAA-UHFFFAOYSA-N
ID: 35061
SMILES:Oc1cc(CCC)cc2c1OC(C)(C)C1CC=C(C(OC)=O)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.655
InChIKey:SSJZLLRNOIRBPE-UHFFFAOYSA-N
ID: 35062
SMILES:c1(C(=O)C)c(O)ccc2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -15.399
InChIKey:RYGBPZPSRGXRSC-UHFFFAOYSA-N
ID: 35063
SMILES:C12C(c3c(ccc(OC(CCC)=O)c3)OC1(C)C)C=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -16.146
InChIKey:VBEXHULBYLSXTP-UHFFFAOYSA-N
ID: 35064
SMILES:C(=O)(C)Oc1cc2c(cc1I)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.267
CB1 binding score: -14.763
InChIKey:HLWMFKJMCMJMBV-UHFFFAOYSA-N
ID: 35065
SMILES:C1=C(C)CC2c3c(O)cc(CCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.805
InChIKey:CDBDULHNWQRYSY-UHFFFAOYSA-N
ID: 35066
SMILES:C(Cc1cc(C2C=C(C)CCC2C(=C)C)c(O)cc1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -16.449
InChIKey:LKADTOARHRWCAE-UHFFFAOYSA-N
ID: 35067
SMILES:CC1CC2c3c(cc(CCCCC)cc3O1)OC(C)(C)C1C2=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -15.563
InChIKey:JOVGUFPJMXVODP-UHFFFAOYSA-N
ID: 35068
SMILES:CC(O)(C)C1Cc2c(C(OC)=O)c(CCCCCC)cc(O)c2C2=C(C1=O)C=CC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -11.945
InChIKey:YLXTWCDUMFQRCA-UHFFFAOYSA-N
ID: 35069
SMILES:Oc1c(C(O)=O)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 35070
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)(C(=O)O)OC(=O)C(=CCCC=C(CCC(O)C(C)(C)O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 570.723
CB1 binding score: -15.393
InChIKey:YEILUAQPADSEDU-UHFFFAOYSA-N