ID: 36856
SMILES:c1(CCCCC)cc2c(cc1O)OC(C)(C)C1CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.777
InChIKey:MCKHUVUIXFFFPD-UHFFFAOYSA-N
ID: 36857
SMILES:CCCCCc1cc2c(c(O)c1O)C1C(C)(CC(O)C(C(C)(O)C)C1)CCCC(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.644
CB1 binding score: -15.374
InChIKey:MCYUJRQUQICGSV-UHFFFAOYSA-N
ID: 36858
SMILES:C1=CC2C(C)CCC2C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.273
InChIKey:YDFYMLUCRBVMAR-UHFFFAOYSA-N
ID: 36859
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 36860
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 36861
SMILES:C1(CC(=CCc2c(O)c(C)cc(O)c2)C)CC(C)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.349
InChIKey:ZRFWDWIMQPIFLY-UHFFFAOYSA-N
ID: 36862
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C13OC1(C(C)=CC2=O)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -13.581
InChIKey:MZCGLPYAPIDLHS-UHFFFAOYSA-N
ID: 36863
SMILES:C(CC1(C)Oc2cc(C)c(O)cc2C2C(C)(C3CCC(C)(COC(=O)C)C(O)C3C(C)=C2)C1)c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.721
CB1 binding score: -15.406
InChIKey:NKSUUIFUAJSNHW-UHFFFAOYSA-N
ID: 36864
SMILES:C(=O)(OC(C(O)c1c(CCCCC)cc(O)c2c1OC(C)(C)C1C2CC(CO)=CC1)CCC(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 502.692
CB1 binding score: -13.698
InChIKey:YETJKSHQXOEMTE-UHFFFAOYSA-N
ID: 36865
SMILES:C1(C(=O)OC)=C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.458
InChIKey:OIGRGSBJUCETNX-UHFFFAOYSA-N
ID: 36866
SMILES:C1(C2OC2(C)C)Oc2c(c(O)cc(CCCCC)c2O)C2CC(C(=O)O)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -4.875
InChIKey:PQLIHIKCVCJIDQ-UHFFFAOYSA-N
ID: 36867
SMILES:c1(CCCC)cc(O)c(CC=C(CCC=C(C)C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.35
InChIKey:ONUSETJNXRTNAA-UHFFFAOYSA-N
ID: 36868
SMILES:C1CC2C(C(C(CC)C)C1C(=O)OC)c1c(OC)cc(CCC)cc1OC2(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -15.833
InChIKey:UMLSSNKVFKWYKI-UHFFFAOYSA-N
ID: 36869
SMILES:C(=C(C)C)CCC1(C)Oc2cc(CCCCC)c(C(O)=O)c(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.775
InChIKey:HRHJHXJQMNWQTF-UHFFFAOYSA-N
ID: 36870
SMILES:CC12CCCC(C)=C1Cc1c(c(O)cc(CCCCC)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -12.653
InChIKey:GKBYERAKVVBCAY-UHFFFAOYSA-N
ID: 36871
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 36872
SMILES:OC12c3c(cc(O)c(=O)c(C(C)C(NC(C)(C)C)=O)c3O)OC(C)(C)C1CC=C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 431.529
CB1 binding score: -15.297
InChIKey:NIYCAYPRQXGDBU-UHFFFAOYSA-N
ID: 36873
SMILES:C1(=C(CO)C)CCC(C)(Oc2c(OC(=O)C)cc(-c3c4c(c(CCCCC)cc3O)OC(C(C)(C)O)C4)cc2C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 580.762
CB1 binding score: -14.641
InChIKey:QLSDYTZXPMJLHC-UHFFFAOYSA-N
ID: 36874
SMILES:COc1c2c(c(C(C)(C)C=C)cc1)OC(C)(C)C1C2C=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.162
InChIKey:SDJRIWJXVDQRAX-UHFFFAOYSA-N
ID: 36875
SMILES:COc1c(C(O)CC(C)C)c2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.798
InChIKey:SWDPJMBPBWFVSF-UHFFFAOYSA-N
ID: 36876
SMILES:C1(C(=O)O)C2C3(C4OC41C)C(C(=C)C)CC(OC3)c1ccc(C)cc1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.418
CB1 binding score: -13.697
InChIKey:QZQDPSBUFCJZHP-UHFFFAOYSA-N