ID: 49477
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(O)C2(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.739
InChIKey:SJOLVRCDQIBYCZ-UHFFFAOYSA-N
ID: 49478
SMILES:C(C)(=CCCC1(C)C=Cc2c(O)cc3c(c21)OC(C)(C)C1C3C=C(C(=O)O)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -15.687
InChIKey:PGBDHHRWUAUMCX-UHFFFAOYSA-N
ID: 49479
SMILES:O=C1Cc2c(c(C(=O)O)c(CCCCC)cc2O)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.358
CB1 binding score: -14.605
InChIKey:IIPOMEOCFCYUHZ-UHFFFAOYSA-N
ID: 49480
SMILES:c1(C)c(CCCCC)cc2c(c1O)C1C(C(=C)C)CCC(C)(C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.131
InChIKey:JWQRLQPBBJTWJS-UHFFFAOYSA-N
ID: 49481
SMILES:C=C1CC2C(CC1O)C(C)(C)Oc1c2cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.929
InChIKey:GQYNJASYFJLRDH-UHFFFAOYSA-N
ID: 49482
SMILES:C(C)(C)=CCCC(=CCCC(=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: -19.427
InChIKey:VVBVATXKSUVSTB-UHFFFAOYSA-N
ID: 49483
SMILES:CC1=CC(C)(CC=C(C)CCC=C(C)C)Oc2c1cc(O)cc2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -12.516
InChIKey:RALSEFQEUQXZOD-UHFFFAOYSA-N
ID: 49484
SMILES:CC(C)=CCCC(C)=CCCC1(C)Oc2c(c(O)cc(CC)c2)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -18.604
InChIKey:MGMRFJXQQCBBTE-UHFFFAOYSA-N
ID: 49485
SMILES:C(C)(C(=O)O)=CCCC(C)=CCc1cc(C(O)=O)c(CCCCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.536
InChIKey:MGFJYJPGAIYPBN-UHFFFAOYSA-N
ID: 49486
SMILES:c1(O)c(CC=C(C)C)c(CCC)cc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.47
InChIKey:XGCDOTRUUPGGAQ-UHFFFAOYSA-N
ID: 49487
SMILES:C1(C)C(=O)C2=C(C=C1)C(C)(C)Oc1c(ccc(CCCCC)c1)C2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -14.372
InChIKey:KUEATRAIHQHFNL-UHFFFAOYSA-N
ID: 49488
SMILES:C(=O)(C=C(C)C)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.284
InChIKey:QTGJAXUAPLSZQW-UHFFFAOYSA-N
ID: 49489
SMILES:c1(O)c2c(cc(CCCCC)c1O)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.083
InChIKey:AZBIJGTVWYSYJV-UHFFFAOYSA-N
ID: 49490
SMILES:C1(C)=CC2c3c(cc(CCCCC)c(C(OC)=O)c3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -18.882
InChIKey:PZGQMCZVNQZFFP-UHFFFAOYSA-N
ID: 49491
SMILES:C1CC2C(C)(C)OC1c1c(O)cc(CCCCC)c(C=O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -13.72
InChIKey:UOAMRGZNMHHBDF-UHFFFAOYSA-N
ID: 49492
SMILES:Oc1cc(CCCCC)cc2c1C1(O2)CCNC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 261.321
CB1 binding score: -14.398
InChIKey:LDSOADUSVVRURK-UHFFFAOYSA-N
ID: 49493
SMILES:C(CC)CCc1cc2c(cc1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.716
InChIKey:MMMBBXWSLJXQAV-UHFFFAOYSA-N
ID: 49494
SMILES:O1c2c(c(O)cc(C)c2)C2C=C(COC(=O)C)CCC2C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.565
InChIKey:ACXJWDRRGRSZKM-UHFFFAOYSA-N
ID: 49495
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 49496
SMILES:c1(O)c(CC=C(CCC=C(C)C)C)c(CCCCC)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.891
InChIKey:JFJAMLJGMDJCRJ-UHFFFAOYSA-N
ID: 49497
SMILES:C(CCCCc1cc2c(c(O)c1)OC(C)(C)C1=C2C2=C(C(C)(C)CCC2)CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -15.415
InChIKey:RUJDROTUCQPCEX-UHFFFAOYSA-N