ID: 58444
SMILES:C(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -15.28
InChIKey:BDFKDRCIIXRCFS-UHFFFAOYSA-N
ID: 58445
SMILES:OC(c1c(O)cc(C(=O)O)cc1)c1cc(CCC(OC)C(C)(C)O)c2c(c1)OC(C)(C)C1C2C=C(C=O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 538.637
CB1 binding score: -13.854
InChIKey:FVGHMSSGCZODRI-UHFFFAOYSA-N
ID: 58446
SMILES:O1c2c(cc(CCCCC)cc2O)OC2C(C3(C)CCC(C(O)(C)C)O3)C(O)C2(O)C(C)=C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.583
CB1 binding score: -15.215
InChIKey:VRXSGKNRXQMHCX-UHFFFAOYSA-N
ID: 58447
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 58448
SMILES:C=C(C)C1C=CC(c2c(O)cc(CCCCC)cc2O)C(C)(O)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.356
InChIKey:SYXUJFPQKJHEKU-UHFFFAOYSA-N
ID: 58449
SMILES:Cc1cc(O)c(O)c2c3c(cc(C)c1-2)OC(C)(C)C1CCC(C)CC31
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -14.806
InChIKey:NLBFGXNXIJWQBF-UHFFFAOYSA-N
ID: 58450
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2CC3OC(CCC3(C)O)CC(=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -13.356
InChIKey:JSYCXLYMARDCKS-UHFFFAOYSA-N
ID: 58451
SMILES:C(O)(=O)c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 58452
SMILES:C1(CO)=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 58453
SMILES:CC(C)C1C=CC(C)(OO)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -14.91
InChIKey:PZZFQSKTKWGXKH-UHFFFAOYSA-N
ID: 58454
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.236
InChIKey:ISFJBVDYHLICJJ-UHFFFAOYSA-N
ID: 58455
SMILES:C1CCC2(C)C(CC(O)(C)C=CC3C(C)(C)Oc4cc(CCCCC)cc(O)c43)C1C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -14.99
InChIKey:ANDREKFYECHWEP-UHFFFAOYSA-N
ID: 58456
SMILES:CC(C1=CCCC2(C)CC1c1c(cc(CCCCC)cc1O)O2)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.502
InChIKey:ZUTCLGXZYWQSQV-UHFFFAOYSA-N
ID: 58457
SMILES:CC1(C)C(CC)=C2C3C(C)(OC(=O)C2)C(=O)CC3C(C)(C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -16.702
InChIKey:DKLIGPONYJZWCE-UHFFFAOYSA-N
ID: 58458
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 58459
SMILES:O=C(c1c(CCCC)cc(O)c2c1OC1(C2)C=CC(=O)C(C)(C)C1CCC(C)=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -12.878
InChIKey:AFXFNFMYYUJTAN-UHFFFAOYSA-N
ID: 58460
SMILES:CCCCCCc1cc(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: 58461
SMILES:O(CC1=CCC2C(C1)c1c(O)c(C)c(C(CC)O)cc1O2)C(C=C(C)C)OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -11.945
InChIKey:ZHHOWNSJTWHJLS-UHFFFAOYSA-N
ID: 58462
SMILES:c1(O)c2c(c3c(c1OC)OC(C)(C)C1C3C(C)=CCC1C(=C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -16.316
InChIKey:UAQFVRVPEPXMOH-UHFFFAOYSA-N
ID: 58463
SMILES:C(Cc1c(O)c(C(C=Cc2ccc(O)cc2)=O)c(O)c2c1OC(C)(C)C1CCC(C)=CC21)(O)(C)CCC=C(C)C
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Flavonoids
Class: Cannabinoids;Chalcones
MW: 546.704
CB1 binding score: -16.83
InChIKey:SOZQSORKIRLMBM-UHFFFAOYSA-N
ID: 58464
SMILES:O=C(C1(C)Oc2c(c(O)cc(CCCCC)c2)C(O)(CCC=C(C)C)C=C1)C1C(C)C2CCC(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: -16.489
InChIKey:VCJDLBRBAMZZAV-UHFFFAOYSA-N