ID: 58549
SMILES:C(CCc1c(C(=O)O)c(O)c(CC=C(C)Cc2c(C)cc(O)c(CC=C(CCC=C(C)C)C)c2O)cc1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.764
CB1 binding score: -16.438
InChIKey:UGNDUTVKCNMMIE-UHFFFAOYSA-N
ID: 58550
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.797
InChIKey:KERKCYZDMNZUKU-UHFFFAOYSA-N
ID: 58551
SMILES:C(CN)c1cc(C2C=C(CCC=C(C)C)CCC2C(=O)O)c(C=O)c(O)c1C=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 399.487
CB1 binding score: -14.605
InChIKey:UFRFWRXEELYHEW-UHFFFAOYSA-N
ID: 58552
SMILES:C(C)(=C)C1CC(C(=C)C)C(c2cc(CCN(C)C)ccc2O)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 339.523
CB1 binding score: -14.196
InChIKey:AIALXDMANRNXIJ-UHFFFAOYSA-N
ID: 58553
SMILES:C12C(CCC1C)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.029
InChIKey:HCVJHHUJBXZYBI-UHFFFAOYSA-N
ID: 58554
SMILES:C12C3(CCC(C)=CC3c3c(O)cc(CCCCC)cc3O1)C(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -12.646
InChIKey:UISYSIMEPJWLBX-UHFFFAOYSA-N
ID: 58555
SMILES:C1(C)=CCCC(C=O)=CCC2C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c3C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.588
CB1 binding score: -13.838
InChIKey:KEADRNCPNFAYOZ-UHFFFAOYSA-N
ID: 58556
SMILES:C1(C(O)(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.257
InChIKey:KETCUGMUWAEENN-UHFFFAOYSA-N
ID: 58557
SMILES:c1(CC2C(C)(C)OC(C)(C=C)CC2)c(C=O)c(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.59
CB1 binding score: -13.09
InChIKey:DMYXFIIZJKLBGW-UHFFFAOYSA-N
ID: 58558
SMILES:CC(C1C2c3c(cc(CCCCC)cc3O)OC(C)(O2)CC1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.078
InChIKey:YZQTVMSDGCKDQL-UHFFFAOYSA-N
ID: 58559
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.832
InChIKey:LOUSQMWLMDHRIK-UHFFFAOYSA-N
ID: 58560
SMILES:CC(C(=O)c1c2c(c(OC)cc1C)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.77
InChIKey:BZQHVDQFFQHLGM-UHFFFAOYSA-N
ID: 58561
SMILES:c1(C)cc(C2C=C(C)CCC2C(=C)C)c(O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.32
InChIKey:PAUXQOYPCTXHFI-UHFFFAOYSA-N
ID: 58562
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C)C(CCC=C(C)C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -14.904
InChIKey:ANPWOZCRHYATDV-UHFFFAOYSA-N
ID: 58563
SMILES:C(C1C(C)(C)Oc2cc(CCCCCO)c(OC)cc21)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.391
CB1 binding score: -13.979
InChIKey:GUYLOFNXXGCTMU-UHFFFAOYSA-N
ID: 58564
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 58565
SMILES:O=C(C(C)(O)C)Oc1cc(CCCCC)cc2c1C1C(C(C)=C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -14.681
InChIKey:WGLWBTALVBLFLF-UHFFFAOYSA-N
ID: 58566
SMILES:C1C2(O1)c1c(cc(CCCCC)c(C(=O)O)c1O)OC(C)(C)C=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -16.241
InChIKey:ILBZQDYKDARSLT-UHFFFAOYSA-N
ID: 58567
SMILES:C1(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)C(OC(CO)=O)C(CC(O)=O)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.556
CB1 binding score: -16.225
InChIKey:UGLXHOYOZMUKKP-UHFFFAOYSA-N
ID: 58568
SMILES:C(CCCCO)c1cc(OC)c2c(c1O)OC(C)(C)C1C2C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -12.737
InChIKey:PULDRMZOLPWIIR-UHFFFAOYSA-N
ID: 58569
SMILES:C1C23c4c(c5occc5c(CCc5cc(CC(C=CC(C)=C)C(C)C)c(O)c(CC=C(C)C)c5)c41)OC(C)(C)C2CC(C(OC)(C)C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 652.916
CB1 binding score: -15.603
InChIKey:ZOJVYZLSNPDEAZ-UHFFFAOYSA-N