ID: 59893
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 59894
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 59895
SMILES:OCC(c1c(I)c(O)c2c(c1)OC(C)(C)C1CC=C(CCC=C(C)CCC=C(C)C)CC12)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.548
CB1 binding score: -14.605
InChIKey:JFOCYWXRUZWGLY-UHFFFAOYSA-N
ID: 59896
SMILES:c1(CCC)ccc(O)c2ccc3c(c12)C1CC(C)CCC1C(C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -16.373
InChIKey:GPDDCMNSTRUNKF-UHFFFAOYSA-N
ID: 59897
SMILES:C1(CC(C)C)c2c(O)cc(CCCCC=CCCCCC)cc2OC(C)(CC2C=C(C)CCC2C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.842
CB1 binding score: -15.691
InChIKey:ZROLHBLNFPFXPV-UHFFFAOYSA-N
ID: 59898
SMILES:C1(=O)C(C(=C)C)=CCC(C)C12Oc1c(c(OC)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -15.255
InChIKey:YAFAFQHDBSIXSS-UHFFFAOYSA-N
ID: 59899
SMILES:C1C2CC(C)C(Cc3c(OC(C)=O)cc(CCCCC)cc3O)(C)C2(C)C2OC(=O)C(C)=C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -13.842
InChIKey:CFTWZDOFSSXZTF-UHFFFAOYSA-N
ID: 59900
SMILES:C=C(C1CCC(C)=CC1c1c(O)cccc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 59901
SMILES:O=C(C(CC)=C)OC1CC2(c3c(O)cc(CCC)cc3O2)C(C)(C)C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.929
InChIKey:BDPMZIGRZQFZID-UHFFFAOYSA-N
ID: 59902
SMILES:CC1(C)C2CCC(C)=CC2c2c(c(CCCCC)cc(O)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.63
InChIKey:LAYHJCJKKWVWTP-UHFFFAOYSA-N
ID: 59903
SMILES:C1(c2c(O)cc(CCCC)cc2O)C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 59904
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(O)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.385
InChIKey:XGBLUBYIKPYOCW-UHFFFAOYSA-N
ID: 59905
SMILES:Oc1cc(CCCC)cc2c1C1C(C3=C(OC(C)(C)C3=C1)C)C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -17.531
InChIKey:QDGVJKGQDZWADA-UHFFFAOYSA-N
ID: 59906
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(O)(CC(C=C)(C)O1)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.785
InChIKey:BPOUVTYFRBPTNV-UHFFFAOYSA-N
ID: 59907
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 59908
SMILES:C(CCCC)c1cc(O)cc(O)c1C1C(C(C)=C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.677
InChIKey:YWEZXUNAYVCODW-UHFFFAOYSA-N
ID: 59909
SMILES:C(Cc1c(OC)cc2c3c1OC1(C)CCC(C2C3)C(C)(C)O1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.713
InChIKey:RJTDDSMWDCXFJH-UHFFFAOYSA-N
ID: 59910
SMILES:c1(CCCCC)c2c(c3c(c1)OC(C)(C)C1C3C=C(C)CC1)OC1c2c(O)c2c(cc1CO)OC(CO)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.719
CB1 binding score: -11.949
InChIKey:MSRYLJDNZINPNZ-UHFFFAOYSA-N
ID: 59911
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC(OCC)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.389
InChIKey:HARPYNLNSSFWJN-UHFFFAOYSA-N
ID: 59912
SMILES:c1(O)ccc2c(c1C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.767
InChIKey:PAEXFQCXJALBEH-UHFFFAOYSA-N
ID: 59913
SMILES:c1cc(C)cc2c1C(C)(C)Oc1c2c(O)cc(C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.383
CB1 binding score: -17.389
InChIKey:QBIJVYCFCKYMFV-UHFFFAOYSA-N