ID: 39712
SMILES:c1(=O)oc2c(c(CCCCCCC)c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides
Superclass: Meroterpenoids;Cyclic polyketides
Class: 2-pyrone derivatives;Cannabinoids
MW: 362.51
CB1 binding score: -16.234
InChIKey:CULYBWFHFOZJFV-UHFFFAOYSA-N
ID: 39713
SMILES:CC1(C)CCCC2(C)C3C(OCC21O)Oc1c(c(O)cc(CCCCC)c1)C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -14.299
InChIKey:VAWREOGVRATXFA-UHFFFAOYSA-N
ID: 39714
SMILES:CC1(C)Oc2c(c(O)c(CCCC)cc2O)C2C1C(O)CC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -13.174
InChIKey:ZYDGAZNHYVTXIU-UHFFFAOYSA-N
ID: 39715
SMILES:C1(CO)(CC)C=Cc2c(ccc(CCCCCO)c2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -15.64
InChIKey:WGGPXCICSTVAIX-UHFFFAOYSA-N
ID: 39716
SMILES:C1CC(C)=CCCC(C)=CC2C1C(C)(C)Oc1c2c(O)ccc1CCCCC(OC)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -17.335
InChIKey:CWUOJXWYSFTEDN-UHFFFAOYSA-N
ID: 39717
SMILES:C1C(=C)C2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.118
InChIKey:FXYDRKPDJXOWSN-UHFFFAOYSA-N
ID: 39718
SMILES:CC1C2CCC(=C)C3C(c4c(O)cc(CCCCC)cc4O2)C3OC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.8
InChIKey:UOGHRCIODVRSBU-UHFFFAOYSA-N
ID: 39719
SMILES:C(=CCc1c(O)cc(CCCCC)cc1O)=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.43
InChIKey:NDZXIMZEMPHMHF-UHFFFAOYSA-N
ID: 39720
SMILES:c12c(c(C(OC)=O)c(CCCCC)cc1O)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -15.633
InChIKey:POZJMIBQVKGUQP-UHFFFAOYSA-N
ID: 39721
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 39722
SMILES:COc1c2c(cc(O)c1CCCCC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.339
InChIKey:LXFJPSDPPITWMR-UHFFFAOYSA-N
ID: 39723
SMILES:C12c3c(OC4C(O)C(O)C(O)C(CO)O4)cc(C)cc3OC(C1)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.409
CB1 binding score: -15.397
InChIKey:FOZAOPZDAYKQSL-UHFFFAOYSA-N
ID: 39724
SMILES:C1=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 39725
SMILES:C1CC(C)(C)OC(C)(c2ccc(C)c(Oc3cc(O)cc(CCCCC)c3)c2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -15.837
InChIKey:NVWGZQZULYCFGD-UHFFFAOYSA-N
ID: 39726
SMILES:c1c(O)ccc2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 39727
SMILES:C(OCC=C1C(=O)C=C(C)C(=O)C12CCC(CCCCCCC)=CC2)(=O)C1C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -17.334
InChIKey:ORRMHOMLKWGAEC-UHFFFAOYSA-N
ID: 39728
SMILES:CC(=CCC1=CCC2c3c(O)cc(C)cc3OC(C)(C)C2C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.497
InChIKey:ZJWMVHDNGIEJDG-UHFFFAOYSA-N
ID: 39729
SMILES:C(C1(c2cc(O)ccc2O)C=C(C)CCC1C(=C)C)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.785
InChIKey:IRDNPWGNQWDHCK-UHFFFAOYSA-N
ID: 39730
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2C3C(O)(C)CCC12O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.443
InChIKey:NIDWFBNTLWGKFQ-UHFFFAOYSA-N
ID: 39731
SMILES:C1=Cc2cc(O)ccc2OC1(C)CCC=C(CCC1C(C)(C)O1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.509
InChIKey:XTVFMVOKSWJIQO-UHFFFAOYSA-N
ID: 39732
SMILES:CC(C)(C)C1CC(C(=C)C)C(c2cc(O)ccc2O)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.016
InChIKey:CEHYYKYMJVJFIX-UHFFFAOYSA-N