ID: 33580
SMILES:C12(C)CC3OC(=O)C(=C)C3C(OC(C)=O)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.471
CB1 binding score: -14.924
InChIKey:MQUCTHUJMMMTOS-UHFFFAOYSA-N
ID: 33581
SMILES:C(CC)Cc1cc(O)c2c(c1O)C1CC(=C)CCC1C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.507
InChIKey:FLLRDSCXXDBISS-UHFFFAOYSA-N
ID: 33582
SMILES:c1(C2C(C(C)C)CCC(C)=C2)c(O)c(C(CCCO)=O)cc(CC=C(C)CCC=C(C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.678
CB1 binding score: -14.779
InChIKey:UPHZEIMYBXZGJU-UHFFFAOYSA-N
ID: 33583
SMILES:c1(O)c2c(cc(C(CCCOC)OCC)c1)OC(C)(CO)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.534
CB1 binding score: -15.133
InChIKey:DDBIWBMRLNINAB-UHFFFAOYSA-N
ID: 33584
SMILES:C1(C)(C)C2(C(Nc3ccccc3)=S)CC(=C)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 435.633
CB1 binding score: -16.703
InChIKey:UXCPYKWYSBAKQS-UHFFFAOYSA-N
ID: 33585
SMILES:C1=C(C)C=CC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.216
InChIKey:AOOBOQLXJOFYIO-UHFFFAOYSA-N
ID: 33586
SMILES:CC12C(C)CC3C(C(c4cc(C(OC)=O)ccc4OC(C)=O)O1)CC2C(C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -15.318
InChIKey:JOPRZBAJPXPJBU-UHFFFAOYSA-N
ID: 33587
SMILES:C(C)CCCc1c(O)ccc2c1OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.852
InChIKey:UQYNNWZJXOCBQD-UHFFFAOYSA-N
ID: 33588
SMILES:CCCCCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -17.628
InChIKey:GUFNTRUPVXSKRY-UHFFFAOYSA-N
ID: 33589
SMILES:C(C1=CCc2c(O)cc(CCCCC)c(O)c2C1=O)C=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -14.506
InChIKey:IDUPCXOUOGSNMJ-UHFFFAOYSA-N
ID: 33590
SMILES:C1(C)C2C(c3c(cc(CCCCC)cc3O)O2)C(C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.059
InChIKey:DFDPTHLLXVCMEU-UHFFFAOYSA-N
ID: 33591
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.46
CB1 binding score: -16.502
InChIKey:DPYDKJOKLIRVQO-UHFFFAOYSA-N
ID: 33592
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(COC(=O)C(=CC)C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -16.638
InChIKey:MWSURKHZERTUNH-UHFFFAOYSA-N
ID: 33593
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 33594
SMILES:C1(CCl)=CCC(C(C)=C)C(c2c(O)cc(CCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.86
CB1 binding score: -14.196
InChIKey:HVVQUAYJVVBWBR-UHFFFAOYSA-N
ID: 33595
SMILES:c1(CCCCC)cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.247
InChIKey:IJXLDZIYGDHKBA-UHFFFAOYSA-N
ID: 33596
SMILES:C(O)(=O)C(C)CC(c1c2c(c(O)c3c1c(C)ccc3)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.521
CB1 binding score: -15.816
InChIKey:QVDDRHUFBYCGFO-UHFFFAOYSA-N
ID: 33597
SMILES:CC(=CCc1c(O)c(C(O)=O)c(CCCCC)cc1O)CCC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 428.613
CB1 binding score: -18.353
InChIKey:QNRJPRFPLQBROG-UHFFFAOYSA-N
ID: 33598
SMILES:CC1=CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.096
InChIKey:OPOIPENSMKDQLW-UHFFFAOYSA-N
ID: 33599
SMILES:c12cc(CCCCC)cc(O)c1C1=C(CC(C(C)(C)O)O1)C(C)(O)C(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.271
InChIKey:DJMSXYUXMHMJQX-UHFFFAOYSA-N
ID: 33600
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(C(=O)O)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N