ID: 138412
SMILES:CCCCCc1c(C(=O)O)cc(O)c(CC=C(C)CCCC(C)(O)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -11.061
InChIKey:DXMYWZKPWFLQOU-UHFFFAOYSA-N
ID: 138413
SMILES:C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 138414
SMILES:C(C)(=CCCC(=CCc1cc(CCCCC)cc(O)c1)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -17.792
InChIKey:LTMDLXPPVFFIFP-UHFFFAOYSA-N
ID: 138415
SMILES:C1(CO)=CC(=O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.946
InChIKey:WQBXKWRSYPXFMH-UHFFFAOYSA-N
ID: 138416
SMILES:C1=CC(C)(C)Oc2c3c(c(OCCCCCC)c(C)c21)OC(C)(CCC=C(C)C)C=C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -14.271
InChIKey:MBCAKOARPKPROQ-UHFFFAOYSA-N
ID: 138417
SMILES:c1(CC=C(C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -20.5
InChIKey:YVUPWYODRDEDFU-UHFFFAOYSA-N
ID: 138418
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C(=O)O)CC(=O)C1C(C)CC2C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.637
InChIKey:ZKGOZXONJZPPFX-UHFFFAOYSA-N
ID: 138419
SMILES:c12cc(CCCCC)cc(O)c1C1C=C(CO)CCC1C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.668
InChIKey:ULAFKXIIRFYROC-UHFFFAOYSA-N
ID: 138420
SMILES:C(=O)C1=CC2C(CC1)C(C)(C)Oc1c2c(CCCCC)c(C(=O)C(CC)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.209
InChIKey:PIKPXKPLKUYDPE-UHFFFAOYSA-N
ID: 138421
SMILES:O=C(c1c(O)c(CC=C(C)C)c(O)cc1CCCCC)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 138422
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(COC)=CC2=O)C(O)CC(C)(O)C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -13.772
InChIKey:JNRFLOAKDIEXCL-UHFFFAOYSA-N
ID: 138423
SMILES:C(C(C1C(C(C)CCCO)CC(=C(C)C)C(c2c(O)cc(CCCCCC)cc2)C1)=C)(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.694
CB1 binding score: -14.109
InChIKey:HPTAGXZTXGDECN-UHFFFAOYSA-N
ID: 138424
SMILES:C1C(C(C)C)C(O)(c2c(O)cc(CCC)cc2O)CC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -13.653
InChIKey:RXCZUNNGZIILSG-UHFFFAOYSA-N
ID: 138425
SMILES:Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 138426
SMILES:C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -18.149
InChIKey:PWNRYJVNGXSCQW-UHFFFAOYSA-N
ID: 138427
SMILES:C1(O)(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 138428
SMILES:C(Oc1cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.943
InChIKey:RWMAQBCDUGRZMD-UHFFFAOYSA-N
ID: 138429
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.748
InChIKey:ORIYPICUSOGUOA-UHFFFAOYSA-N
ID: 138430
SMILES:CC(=O)OC(c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)c(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -13.613
InChIKey:WBGFNDRVXGUEEU-UHFFFAOYSA-N
ID: 138431
SMILES:OC1C2(C)C(C(C)(CCC=C(C)CO)C)CCC2(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.656
CB1 binding score: Not available
InChIKey:DNDCMGKPIZXZPB-UHFFFAOYSA-N
ID: 138432
SMILES:C12C(C)(C3C(C)(C)C13)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.306
InChIKey:BDPGOSZWLQPGAT-UHFFFAOYSA-N