ID: 99415
SMILES:C(CCC)COc1cc2c(cc1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.831
InChIKey:QDZGTGVJDYLPBC-UHFFFAOYSA-N
ID: 99416
SMILES:C1C2C(C)(CCC(C)(CCC=C(C)C)C2C=COC(C=C(C)C)=O)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: -15.077
InChIKey:UMJXAMSKEVFWSU-UHFFFAOYSA-N
ID: 99417
SMILES:C(C(=O)c1c(O)cc(CCCCC)cc1O)=C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.768
InChIKey:NXXHMSMYWFOUJV-UHFFFAOYSA-N
ID: 99418
SMILES:CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 99419
SMILES:CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)c(C(=O)O)c2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 99420
SMILES:C1(COC)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.881
InChIKey:PQZMQHVIZFPKQU-UHFFFAOYSA-N
ID: 99421
SMILES:C1(C(=C)C)CCC(O)(C)C2Oc3c(c(OC(C)=O)c(OC(=O)C)c(CCCCC)c3)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -15.93
InChIKey:KUBLXBBNUDWHMQ-UHFFFAOYSA-N
ID: 99422
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2OCc2ccc(O)cc2)C(C(CCC=C(C)C)(C)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.727
CB1 binding score: -13.408
InChIKey:KAEGEUNOXJLRJN-UHFFFAOYSA-N
ID: 99423
SMILES:O1C2(CO)C1C1c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.553
InChIKey:IQNDPHIQBKDPCP-UHFFFAOYSA-N
ID: 99424
SMILES:C(C(C)C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2)C(O)C1(CCC=C(C)C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.711
CB1 binding score: -16.998
InChIKey:OQAPZBZUUVYINB-UHFFFAOYSA-N
ID: 99425
SMILES:C1(C)(O)C2C(c3c(O)cc(CCCCC)cc3O1)C(C(C)C)CCC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.055
InChIKey:PZACIRGOXMOIGH-UHFFFAOYSA-N
ID: 99426
SMILES:OC12C(c3c(cc(CCCCC)cc3O)OC1C=C(C)C)C(=O)C(C)=C(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -15.93
InChIKey:ZQUTZYCYTGQJGC-UHFFFAOYSA-N
ID: 99427
SMILES:C(CCC)Cc1cc(O)c(C2C(C(C)=C)C(C)(C=C)C=C2CCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -17.224
InChIKey:PAPLYWNCSIRAGT-UHFFFAOYSA-N
ID: 99428
SMILES:c1cc2c(cc1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -17.752
InChIKey:CJFQORFGFVBCSD-UHFFFAOYSA-N
ID: 99429
SMILES:C1=C(SC(CCC)(C)C)C(=O)C2C(C3C(C(C)(C)O2)CC=C(C)C3=O)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.589
CB1 binding score: -16.527
InChIKey:UNMWAUYFJGREFF-UHFFFAOYSA-N
ID: 99430
SMILES:C1C2(C)C(O)C=CC2(C)CCC2=C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -13.522
InChIKey:QOGULJWRRDKFKY-UHFFFAOYSA-N
ID: 99431
SMILES:CC(=C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 99432
SMILES:C1=C(C)C(=O)CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.019
InChIKey:ACTXTTFTOPDNJL-UHFFFAOYSA-N
ID: 99433
SMILES:C12C(=C)CCC13C(C)(C)Oc1c(c(O)cc(CCCCCC)c1)C3C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.624
InChIKey:FWFGARYHMXXTCO-UHFFFAOYSA-N
ID: 99434
SMILES:C1(C)(C)Oc2c(c(O)c(C(=O)C)c(O)c2)C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -15.432
InChIKey:CJAVQZFVIBSYHO-UHFFFAOYSA-N
ID: 99435
SMILES:Oc1c(CCCCC)cc(O)c2c1C1C(C)(C)C2CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -13.754
InChIKey:AVOSQBDRKJHTLY-UHFFFAOYSA-N