ID: 85639
SMILES:C1C2(c3c(cc(CCCCC)cc3OC)OC2(C)C)C(=O)C(C)(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.116
InChIKey:SPGMYHDTNMAYDS-UHFFFAOYSA-N
ID: 85640
SMILES:C12(CO)CCC3C(C)(C)Oc4c(c(O)cc(C)c4)C13O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -15.832
InChIKey:PFNXTISQGAQPNT-UHFFFAOYSA-N
ID: 85641
SMILES:C(CC)CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 85642
SMILES:C(C)(=C)C(OOc1cc(CCCCC)cc(O)c1C1C(O)C(C)(O)CCC1C(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.573
CB1 binding score: -15.552
InChIKey:AZTQVCPCRXYFRQ-UHFFFAOYSA-N
ID: 85643
SMILES:C1(C(C)(O)C)Oc2cc(CCCCC)cc(O)c2C2C1C(=O)CC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.605
InChIKey:LVRCQYOZYRLZLW-UHFFFAOYSA-N
ID: 85644
SMILES:c1c2c(c(CCC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.46
InChIKey:ZNOVGGKSHKBNFB-UHFFFAOYSA-N
ID: 85645
SMILES:C(CCC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(O)CC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -13.842
InChIKey:UWTFYRNLBOZOLU-UHFFFAOYSA-N
ID: 85646
SMILES:C(CCc1cc(OC)c2c(c1C)OC(C)(C)C1CC=C(C(=O)OC)CC21)Br
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 437.374
CB1 binding score: -13.369
InChIKey:ZZQKAIQPZHAFLV-UHFFFAOYSA-N
ID: 85647
SMILES:O(c1c2c(cc(C)c1)OC(C)(C)c1C2CC(O)(C)C(O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -14.066
InChIKey:FBZINSASFXTICO-UHFFFAOYSA-N
ID: 85648
SMILES:CCCCCc1cc2c(c(O)c1)C1C(O)(C(=O)C(C)(C)O1)CC2C(C)CC=CC(O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.847
InChIKey:POHIRMJZTILZLK-UHFFFAOYSA-N
ID: 85649
SMILES:CC1(C)C2CCC(C(O)=O)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 85650
SMILES:CC(C)CC=CC(C)C1C2(C(C=O)C(C)(O)CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -17.263
InChIKey:LHQHXTCZJFZLOP-UHFFFAOYSA-N
ID: 85651
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)C(C)(O)C12)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -16.503
InChIKey:YPEAQIKQLVMWLK-UHFFFAOYSA-N
ID: 85652
SMILES:C1CC2C3=C4OC(C)(CC)C5OC5C4=C(C)C(=O)C3OC(c3c(C(=O)OC)cc(O)c(O)c3CC(C)C)C2(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 552.664
CB1 binding score: -15.503
InChIKey:QNCMFCONDJGPIT-UHFFFAOYSA-N
ID: 85653
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 85654
SMILES:O(C1C(C)=CC2C(CC1)C(C)(C)Oc1c2c(OC)cc(CCC2CC(=O)CCC2=O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -15.83
InChIKey:WSSTXQMVYAWEOZ-UHFFFAOYSA-N
ID: 85655
SMILES:C1C2C(O)C3OC3(C(=O)OC)C2(C)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.422
CB1 binding score: -16.347
InChIKey:OSQOQDFFJVHBHP-UHFFFAOYSA-N
ID: 85656
SMILES:CC1(C)Oc2c(c(O)c(C(C)=O)cc2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.218
InChIKey:QLQQSXJVMGIIKL-UHFFFAOYSA-N
ID: 85657
SMILES:C1CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 85658
SMILES:C(CC(=O)CC(=CCc1c(OC)cc(CCCCCCC)cc1O)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.929
InChIKey:XWPQPBGDVKMNNE-UHFFFAOYSA-N
ID: 85659
SMILES:c1(CCCCC)ccc(C2C=C(C)CCC2C(C)=C)c(OC(=O)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.438
InChIKey:ATJKXFOHYSSRNX-UHFFFAOYSA-N