ID: 44437
SMILES:Oc1cc(Cc2c(CCCCC)c(C3C=C(C)CCC3C(C)=C)c(O)c(C(CCC)=O)c2O)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.683
CB1 binding score: -16.157
InChIKey:HVOOUIXTYNYJDQ-UHFFFAOYSA-N
ID: 44438
SMILES:C(CCc1cc2c(c(OC)c1OC)OC(C)(C)C1CC=C(CCC=C(C)C)C21)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.335
InChIKey:YQOMQAQOSRHVKJ-UHFFFAOYSA-N
ID: 44439
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: 44440
SMILES:CC1(C)Oc2c(c(C)c(O)cc2CCC)CC2(C)C1CCC(=C)C2CC(=O)C(C)CCCc1ccoc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.727
CB1 binding score: -15.19
InChIKey:PGZUCUIJNWEIOW-UHFFFAOYSA-N
ID: 44441
SMILES:C(N(CCOc1c2c(cc(CCCC)c1)OC(C)(C)C1C2C=C(COC(C)=O)CC1)C=C(C)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 497.72
CB1 binding score: -15.3
InChIKey:BEZDIBWKCUDLSS-UHFFFAOYSA-N
ID: 44442
SMILES:c1(CCCCC)cc(OC)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.153
InChIKey:FHFWMWLGGRCLAF-UHFFFAOYSA-N
ID: 44443
SMILES:O1C(C)(C)C2=CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.059
InChIKey:WMTJHAIWAMUGFD-UHFFFAOYSA-N
ID: 44444
SMILES:CCCCCC(c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1OC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.364
InChIKey:KGWWEKRWXYFXKX-UHFFFAOYSA-N
ID: 44445
SMILES:C1C(C(=O)OC)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 44446
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2C2C1C3(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.03
InChIKey:LCOSJFDHOIDOTL-UHFFFAOYSA-N
ID: 44447
SMILES:C12CC(C)=CCC1C(C)(C)Oc1c2c(O)cc2c1C=CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.562
InChIKey:VISRAEHTZRWRCM-UHFFFAOYSA-N
ID: 44448
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=C(CCC(C)=CC3OC(C(C)(C)O)CCC3(C)O2)C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -14.801
InChIKey:MUFHUZONKCEHBM-UHFFFAOYSA-N
ID: 44449
SMILES:CC1CCC2=C1C(O)(C)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -14.884
InChIKey:ABMADRDHBDJPLX-UHFFFAOYSA-N
ID: 44450
SMILES:CC1(C)C2C(C)(CCC1)C1CCC3(C)Oc4c(c(O)cc(CCC)c4)C1C3O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.423
InChIKey:QMWQZTYCVAWMFM-UHFFFAOYSA-N
ID: 44451
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(O)C(C)(OC)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.835
InChIKey:VXIBFLASKODQNS-UHFFFAOYSA-N
ID: 44452
SMILES:C(CC)CCc1c(C(=O)O)c(O)c(CC=C(CCC=C(C)C)C)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -19.037
InChIKey:VAFRUJRAAHLCFZ-UHFFFAOYSA-N
ID: 44453
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 44454
SMILES:C1=C(C)Cc2c(O)c(C=O)c(CCCCC)cc2OC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.161
InChIKey:FSONXRQKFAHUNT-UHFFFAOYSA-N
ID: 44455
SMILES:CC1(C)Oc2c(c(OC)c(CCCCC)c(C(=O)OC)c2O)C2CCC(=O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -14.468
InChIKey:JZZCSNAJLAZABB-UHFFFAOYSA-N
ID: 44456
SMILES:C1(C(=O)O)=CC2C(CC1)C(C)(C)Oc1c2cc(O)c(C2C=C3C4(C(C(C)(C)O)CCC4C2O3)CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.655
CB1 binding score: -13.05
InChIKey:KPOWQLKCDGRWKR-UHFFFAOYSA-N
ID: 44457
SMILES:O=C(c1ccc2c(c1)OC(C)(C)C1CC=C(C)CC21)OOC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -15.773
InChIKey:JJXNJUZUAPGQJP-UHFFFAOYSA-N