ID: 72619
SMILES:C12=C(C=CC(C)(C)C1=O)C1C(c3c(cc(CCCCC)cc3O)O2)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.512
CB1 binding score: -12.547
InChIKey:KEIIAHSIKJRNTP-UHFFFAOYSA-N
ID: 72620
SMILES:C(C(C)CCCc1ccccc1)(C1CCC(C)=CC1)CCC1OC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.578
CB1 binding score: -13.431
InChIKey:VDQMXFIUCZNAGS-UHFFFAOYSA-N
ID: 72621
SMILES:CCCCCc1cc2c3c(c1O)OC(C)(C)C1C3C(CC2)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.844
InChIKey:BWZVOUKETOVLAF-UHFFFAOYSA-N
ID: 72622
SMILES:O(C(=O)C)c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC2C(CCC(O)C(C)(C)O2)C(=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.62
CB1 binding score: -14.718
InChIKey:NEGWZHKRNIKKHM-UHFFFAOYSA-N
ID: 72623
SMILES:C1C(C)(C)CC2=C(C(=O)C(C)Oc3cc(CCCCC)cc(OC)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -12.892
InChIKey:UJSYAFIEGCNATM-UHFFFAOYSA-N
ID: 72624
SMILES:O=C(c1c(CCCCC)cc2c(c1O)C1CC(C)(O2)CCC1C(=C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -14.638
InChIKey:DMDDRIUGRZQZKJ-UHFFFAOYSA-N
ID: 72625
SMILES:CC1C2CCC(=C)CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.954
InChIKey:BYRYVWRHXFBOTH-UHFFFAOYSA-N
ID: 72626
SMILES:C(CCC)Cc1cc(C2C=C(C)CCC2C(=C)C)cc2occc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.492
CB1 binding score: -15.21
InChIKey:IYPVXOKMBNTOMQ-UHFFFAOYSA-N
ID: 72627
SMILES:CC(C12C(OC(=O)C)C=C(C)C(C(=O)c3c(O)cc(CCCCC)cc3O)C1CC(C)(C)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -13.355
InChIKey:BMCQEQKZDNIFPK-UHFFFAOYSA-N
ID: 72628
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C3C(C)(OC(C)(CCC=C(C)C)C3C2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.162
InChIKey:TZENCJGIUSLUNJ-UHFFFAOYSA-N
ID: 72629
SMILES:c1(C)cc(Oc2cc(OC)cc(CCCC)c2)c(O)c(CC=C(C)CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Diphenyl ethers (DPEs)
Class: Cannabinoids;Fungal DPEs
MW: 438.608
CB1 binding score: -15.506
InChIKey:GRAIJPJVMPEJJJ-UHFFFAOYSA-N
ID: 72630
SMILES:C1(C(=C)CO)=CC(C)(C)CC(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.209
InChIKey:POEAZDLBBPJJQD-UHFFFAOYSA-N
ID: 72631
SMILES:c1(O)c(C(C)C(C(=O)C(C(O)C(CC)C)C)C)cc(O)c2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -14.856
InChIKey:GOAZNENZMIEOOO-UHFFFAOYSA-N
ID: 72632
SMILES:C1(C)=CC(c2c(O)ccc(CCCCCS)c2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.537
CB1 binding score: -16.015
InChIKey:SECOZRFBHWKARZ-UHFFFAOYSA-N
ID: 72633
SMILES:COC(C1=CCCC(C(=O)O)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.579
CB1 binding score: -15.68
InChIKey:XHZZMKWHDWRUPK-UHFFFAOYSA-N
ID: 72634
SMILES:C=C(C(O)CCC(C)=CCc1c(O)c2c(c(C(=O)CCC)c1O)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.661
CB1 binding score: -15.929
InChIKey:MCRSJGKBSVFTER-UHFFFAOYSA-N
ID: 72635
SMILES:C1C2C(C)(C)CCC3C2c2c(O)cc(CC)cc2OC3(C)CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.938
InChIKey:SVYKXEDEGJELOQ-UHFFFAOYSA-N
ID: 72636
SMILES:C12C(O)(C(O)CC(C)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.754
InChIKey:FFXHOQVWBQGPTB-UHFFFAOYSA-N
ID: 72637
SMILES:C(=C)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -18.957
InChIKey:MTBKFELEBUQONK-UHFFFAOYSA-N
ID: 72638
SMILES:C1c2c(cc(OC(CCCCCCCCCCCCCCC)=O)cc2C)OC(C)(C)C2CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.803
CB1 binding score: Not available
InChIKey:UVZPBURYTMLKIJ-UHFFFAOYSA-N
ID: 72639
SMILES:C1c2c(cc(CCCCC)cc2O)OC(C)(C)C2CCC(O)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.385
InChIKey:XGBLUBYIKPYOCW-UHFFFAOYSA-N