ID: 84421
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 84422
SMILES:C(c1c(O)c(C(=O)O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C=C(C=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -13.663
InChIKey:RFPBOKVRLIJDEP-UHFFFAOYSA-N
ID: 84423
SMILES:CC12C(C)(C)CCC(O)C1(C)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.604
InChIKey:AZVHCUDMFJSBAS-UHFFFAOYSA-N
ID: 84424
SMILES:C1C2C(C3C=C(C(=O)O3)C1O)C(C)(C)Oc1cc(CCCCC)c(C(O)=O)c(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.497
CB1 binding score: -12.373
InChIKey:BNUKNEITALPTHG-UHFFFAOYSA-N
ID: 84425
SMILES:C(=O)(Cc1cc2c(c(O)c1)C1C=C(CO)CCC1(O)C(C)(C)O2)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.368
CB1 binding score: -14.605
InChIKey:UVKLAGRPTGIOCE-UHFFFAOYSA-N
ID: 84426
SMILES:O1c2c3c(cc(CCCCC)c2)OC(C)(C)C2C3C2C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -13.471
InChIKey:ZGWZOXXPJXTFBF-UHFFFAOYSA-N
ID: 84427
SMILES:CC1CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.689
InChIKey:VCPAMXGHPZGSLT-UHFFFAOYSA-N
ID: 84428
SMILES:C(CCC)Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 84429
SMILES:C1=C(C)C2(Cc3c(O)cc(CCCCC)cc3O2)C(C)(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.636
InChIKey:QMYFWFXNSOOQSK-UHFFFAOYSA-N
ID: 84430
SMILES:C1(C)(C)Oc2c(c(O)c(C=O)c(CCCCC)c2)-c2cc(C)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -16.015
InChIKey:PQBHNFCSKWZEIL-UHFFFAOYSA-N
ID: 84431
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 84432
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(O)C(C)(O2)CCC1C(C)(OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.452
InChIKey:BGPOFSDTLVOCDP-UHFFFAOYSA-N
ID: 84433
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 84434
SMILES:c1(CC=C(CCC=C(C)C)C)c2c(c3c(c1)OC(C)(C)C1C3C(C=CC(C)C)OC1=O)cccc2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.668
CB1 binding score: -15.239
InChIKey:NGDAFUBORNEIOC-UHFFFAOYSA-N
ID: 84435
SMILES:Oc1cc(CCCCC)cc(O)c1C1C(C(C)=C)CC(O)C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.385
InChIKey:YYLPAYRRVSQJRR-UHFFFAOYSA-N
ID: 84436
SMILES:Cc1cc(CCCCC)cc2c1C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.045
InChIKey:WXWRTHZSDBPALC-UHFFFAOYSA-N
ID: 84437
SMILES:c12c(O)c(C(C)COC3OC(CO)C(O)C(O)C3O)c(O)c(CCCCC)c1C13CC(C)CCC1(O2)C(C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 566.688
CB1 binding score: -11.219
InChIKey:SDFPLILKBHEQLS-UHFFFAOYSA-N
ID: 84438
SMILES:C12C(C(C)(C)Oc3ccc(O)cc31)CCC(CCCC(C)=C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.596
InChIKey:RTRRIHWPUPZHJZ-UHFFFAOYSA-N
ID: 84439
SMILES:C1C(=C)C(O)C2C(C(C)(C)Oc3c2c(O)cc(CCCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.867
InChIKey:QDQFAXHUAWIIEC-UHFFFAOYSA-N
ID: 84440
SMILES:C1=C(COC(=O)C)CCC2C(C)(C)Oc3c(c(O)ccc3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -15.636
InChIKey:ZRVNMJAYFJGEHX-UHFFFAOYSA-N
ID: 84441
SMILES:C1(C)(C)C2C(CC(C)=CC2)c2c(cc(C(C)C)c(O)c2O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.532
InChIKey:PKWLSGWYNRTTIK-UHFFFAOYSA-N