ID: 49057
SMILES:c1(C(=O)CC(C)C)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -19.167
InChIKey:CFZLDEROOCUHHL-UHFFFAOYSA-N
ID: 49058
SMILES:Oc1cc(O)cc(CCc2ccc3c(c2)OC(C)(C)C2C3C=C(C)CC2)c1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 364.485
CB1 binding score: -14.634
InChIKey:UJLQMCNIKJPADO-UHFFFAOYSA-N
ID: 49059
SMILES:C(=CCCC12c3c(OC(=O)C)cc(CCCCC)cc3OC(C)(C)C1CC=C(C)C2O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -15.446
InChIKey:VLZVTQADJXJAFI-UHFFFAOYSA-N
ID: 49060
SMILES:C(CO)(=CCc1c(O)cc(C(CCCCCCC)OC)cc1OCC=C(C)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.591
CB1 binding score: -14.537
InChIKey:BVVOGWYPEGLCDN-UHFFFAOYSA-N
ID: 49061
SMILES:c1(O)c2c(c(C(OC)=O)c(O)c1CC(O)=C(C)C)cc1c(c2O)OC(C)(C)C2CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.546
CB1 binding score: -15.872
InChIKey:HUMWASXHTVEKRG-UHFFFAOYSA-N
ID: 49062
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 49063
SMILES:O=c1cc2c(cc(CCCC)c1)OC(C)(C)C1C2C(OC(=O)C)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.051
InChIKey:BRJKOPWPBNJYKP-UHFFFAOYSA-N
ID: 49064
SMILES:C(C(C)=CCCC(=CCc1c(O)c(C)cc(OC)c1)C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.271
InChIKey:LTUYWLMIHKGWJM-UHFFFAOYSA-N
ID: 49065
SMILES:O1c2cc(CCCCC)c(C(O)=O)c(O)c2C2CC(C(C)C)=CCC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.863
InChIKey:PHBINSDASOLCBN-UHFFFAOYSA-N
ID: 49066
SMILES:C1CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)C(O)=C1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -13.199
InChIKey:ZRHODEZQWQRHTD-UHFFFAOYSA-N
ID: 49067
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 49068
SMILES:C1C23C(C(CO)(C)CC1)C(=O)OC(O)(c1cc(CCCCC)cc(O)c12)C3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.151
InChIKey:CLHGKJHPABIANA-UHFFFAOYSA-N
ID: 49069
SMILES:c1(CCCCCCCc2[nH]ccc2)ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 391.599
CB1 binding score: -15.689
InChIKey:IFRKHWLGDDDECH-UHFFFAOYSA-N
ID: 49070
SMILES:C12C(c3c(C(=O)O)cc(CCCCC)cc3O)OC(C1(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.502
InChIKey:ZPASOICJPXSUNL-UHFFFAOYSA-N
ID: 49071
SMILES:Oc1c(=O)c(O)ccc2c1OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -14.91
InChIKey:KFABWXYGOCDFRI-UHFFFAOYSA-N
ID: 49072
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.957
InChIKey:XFYKOYWZVVGAEV-UHFFFAOYSA-N
ID: 49073
SMILES:CC12CC3c4c(O)cc(CCCCC)cc4OC1(C3)C(C)CCC2C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -14.197
InChIKey:UBHZUZRDVYSTSH-UHFFFAOYSA-N
ID: 49074
SMILES:C(CO)C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.685
InChIKey:SXQKQJFMRCRVJB-UHFFFAOYSA-N
ID: 49075
SMILES:C(C)CCCc1cc2c(c(O)c1)C1=C(CCC(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 49076
SMILES:c1(C)c(-c2c(O)cc(C(O)CCCC)cc2O)cc(C2(C(O)=O)CCC(C)C(CCC=C(CO)C)(C)O2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 556.696
CB1 binding score: -16.918
InChIKey:CLZMFHLPKSRZIO-UHFFFAOYSA-N
ID: 49077
SMILES:C1=Cc2c(c(C)cc(O)c2)OC1(C)CCC1=C(C)CCC(=C(C)C)C1(CCCO)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.633
InChIKey:ZEWRWJAMSBPBFU-UHFFFAOYSA-N