ID: 126673
SMILES:c1(C)c2c(C(OC)=O)c(CCCCC)cc1OC(C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.101
InChIKey:UQPRDWQCEXSWTE-UHFFFAOYSA-N
ID: 126674
SMILES:C12=CC(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.727
InChIKey:YLTWYAXWDLZZCU-UHFFFAOYSA-N
ID: 126675
SMILES:C12CCC3(C)C(C1CC(C)(C)Oc1c2cc(CCCCC)cc1O)CCC3(CO)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.395
InChIKey:GKVRJAFBWNPSBI-UHFFFAOYSA-N
ID: 126676
SMILES:c1c(CCCCC)c(C(=O)OC2CC(C)CCC2C(C)C)c(-c2c(O)cc(CCCCC)cc2O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.742
CB1 binding score: -15.56
InChIKey:SLZVKQFPIRKTHE-UHFFFAOYSA-N
ID: 126677
SMILES:c1c(O)c(C=O)c(OO)c(C(=O)C(C)(C)O)c1-c1c(C(O)CCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.663
CB1 binding score: -16.181
InChIKey:RDNUMWQFQCXGEF-UHFFFAOYSA-N
ID: 126678
SMILES:C1CC(C(C)=C)C(c2cc(CCCC)ccc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -17.823
InChIKey:MJPGPIDFMYMEIN-UHFFFAOYSA-N
ID: 126679
SMILES:C12CC(O)C(C)(CCC1(C)C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -12.837
InChIKey:JSIGSIILJYYIJQ-UHFFFAOYSA-N
ID: 126680
SMILES:CC1(C)C2CCC(CO)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 126681
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 126682
SMILES:C=C(CC(C=C(CCC=C(C)C)C)Oc1cc(CCCCC)cc(OC)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.468
InChIKey:VBNMYYCEUXPXPT-UHFFFAOYSA-N
ID: 126683
SMILES:C(C)(=O)Oc1cc(CCCC(O)=O)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -13.733
InChIKey:HPIAGGWQPFHKLU-UHFFFAOYSA-N
ID: 126684
SMILES:C12Oc3c(c(OC)cc(CCCCC)c3)C1CC1=CCCC2C1C(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -12.903
InChIKey:JGWDRPXFJSVHEH-UHFFFAOYSA-N
ID: 126685
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 126686
SMILES:O1C(CC(=CCc2c(O)c(C)cc(OC)c2)C)(CC=C(C)C)C(=O)C(O)C=C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -16.557
InChIKey:IZJUMWDZURVYFP-UHFFFAOYSA-N
ID: 126687
SMILES:c1(C(C)C(C)C)cc(O)c2c(c1)OC12C=C(C)CCC1C(C)(C)OCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -12.837
InChIKey:XLZVMKKEJFWBEE-UHFFFAOYSA-N
ID: 126688
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 126689
SMILES:C(c1c(O)cc(CCCC)cc1O)(=O)CCc1cc(O)c(OCC=C(C)CCC=C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -14.706
InChIKey:YEPTVHCPBIENSH-UHFFFAOYSA-N
ID: 126690
SMILES:C1(=O)CCC2C(C)(C)Oc3ccc(CCCCC)cc3OC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.269
InChIKey:NRKLMRUKHIFIHZ-UHFFFAOYSA-N
ID: 126691
SMILES:C(C=C(C)C)CC(C)=CCc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 126692
SMILES:C1CC(C(C)C)C2C3C4(C)OC4C(O)C3=C(C)CCC(O)C1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -13.892
InChIKey:GFURUWQPQXCJHS-UHFFFAOYSA-N
ID: 126693
SMILES:Oc1cc(CCCCC)cc2c1C1(O)C(CC=C(C)C1O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.527
InChIKey:PCWFEAHCHANUQE-UHFFFAOYSA-N