ID: 53887
SMILES:C1C(C(C)C)=C(c2c(O)cc(CCCCCCCC)cc2)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.551
CB1 binding score: -13.716
InChIKey:UQFDPYMDNPHNGD-UHFFFAOYSA-N
ID: 53888
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 53889
SMILES:C(CCC1C(C)(C)Oc2cc(O)cc(C)c21)c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -16.278
InChIKey:FFWIQYZFMBZDTB-UHFFFAOYSA-N
ID: 53890
SMILES:C1CC2(C)Oc3c(c(O)cc(CCC)c3)C3OC(C)(C)C(CCC(O)(C)C=C2)C3(C(O)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -16.847
InChIKey:YMPHELCPNQQMJD-UHFFFAOYSA-N
ID: 53891
SMILES:C1(C)(C)C(=O)C(c2cccc(O)c2)C(CC2(C)OC(C(C)(C)OC)(C)CC2)CC1Br
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 481.471
CB1 binding score: -17.346
InChIKey:AIBBHJNPLGDSPV-UHFFFAOYSA-N
ID: 53892
SMILES:Oc1cc(CCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -19.327
InChIKey:GGVVJZIANMUEJO-UHFFFAOYSA-N
ID: 53893
SMILES:C=C1C(C)=CC2C(C3(O)C2C(OC3=O)Oc2c3c(cc(CCCCC)c2)OC(C)(C)C2C3C=C(C)C(=O)C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 534.649
CB1 binding score: -15.422
InChIKey:ATMKVPCOULPIDF-UHFFFAOYSA-N
ID: 53894
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1(O)C(C=C(C)C)C2C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -12.727
InChIKey:HOTCUSBDWIEKIY-UHFFFAOYSA-N
ID: 53895
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 53896
SMILES:C(C)CCCc1cc(OC)c2c(c1)OC(C)(C)C1=C2C(O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.063
InChIKey:MQOPWPJZKTXPDB-UHFFFAOYSA-N
ID: 53897
SMILES:Oc1cc(CCc2cc3c(c(O)c2)C2CC(CCC=C(C)C)(C)OC2C(CC(CCC(C)(O)C)=O)(C)O3)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 566.735
CB1 binding score: -17.486
InChIKey:HZQYTTPOHJTZFF-UHFFFAOYSA-N
ID: 53898
SMILES:CC12CC(=O)CC(CC(=O)C=C(C)C)(C)C1COc1cc(CCC(O)CC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -11.518
InChIKey:AELLMXVBKIJURT-UHFFFAOYSA-N
ID: 53899
SMILES:C1C2(C3C(C)(CCC2)COC3)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.171
InChIKey:FCBZDBUYKFSPMN-UHFFFAOYSA-N
ID: 53900
SMILES:C1=C(C)C(O)CC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.238
InChIKey:BJYXQJGARPKCEI-UHFFFAOYSA-N
ID: 53901
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CC(C)C2CC(C(O)(C)C)O1)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -14.239
InChIKey:NGNOGKVTFCBOBX-UHFFFAOYSA-N
ID: 53902
SMILES:Cc1cc(OC(=O)C)c2c3c1C1C(CO3)C(C)(C)OC1(C)C(CC=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.95
InChIKey:GVUNMLHSZMXESW-UHFFFAOYSA-N
ID: 53903
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=C(C(C)(C=CC=C(C)C)OC)CCC(C)(C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.922
InChIKey:ZIHMNTQVVGCNSS-UHFFFAOYSA-N
ID: 53904
SMILES:C(=C(C)C)CCC(=CCc1cc(O)cc(C)c1OC(=O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.936
InChIKey:HBMZKHKKECAQEH-UHFFFAOYSA-N
ID: 53905
SMILES:CC1(C)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2=O)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.615
InChIKey:IQKGHLTXTPDDJD-UHFFFAOYSA-N
ID: 53906
SMILES:C1=C(C)CCC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 53907
SMILES:Oc1c(C(=O)C(CCCC)C(CC)C)cc(O)c(CC=C(C)CCC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.07
InChIKey:UHHFAZISUUAMMZ-UHFFFAOYSA-N