ID: 100843
SMILES:c12cc(OC)c(OC)c(CCCCC)c1C1CC(=C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.212
InChIKey:CNQCEKYHHIANIJ-UHFFFAOYSA-N
ID: 100844
SMILES:C1(C)=CCC(=O)C2(C)C1Cc1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.184
InChIKey:CMZHHIOJAQULCG-UHFFFAOYSA-N
ID: 100845
SMILES:C(=C)(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 100846
SMILES:O=C(c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)cc1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -17.914
InChIKey:AMHTVROHLKPQQT-UHFFFAOYSA-N
ID: 100847
SMILES:C(=CCCC(=CCc1cc(O)c(CC=C(C)C)c(O)c1)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.687
InChIKey:WLQHMAXRUPMVPI-UHFFFAOYSA-N
ID: 100848
SMILES:O=C(O)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(CO)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.888
InChIKey:PQLHCGPBCSGLBO-UHFFFAOYSA-N
ID: 100849
SMILES:c1cc(O)c(CS(=O)(CCC(C)=CCc2c(O)c(C=O)c(O)c(C3C=C(C)CCC3C(=C)C)c2)=O)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.679
CB1 binding score: -11.114
InChIKey:JLQGCVVFVKQGQY-UHFFFAOYSA-N
ID: 100850
SMILES:Oc1cc(CC=C(C)C)c2c(cccc2CCCCC)c1C1C(C)(C)CCC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.638
CB1 binding score: -16.257
InChIKey:XRAIEIANEPUGQM-UHFFFAOYSA-N
ID: 100851
SMILES:C1(O)C(c2c(O)cc(CCCCC)cc2OC)C(C=C)(C)CCC1(C(C)=C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -13.872
InChIKey:MPOPOLNDPLBKAK-UHFFFAOYSA-N
ID: 100852
SMILES:CCCCCCCCCCCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.712
CB1 binding score: -17.334
InChIKey:SAJONJXCFAUORE-UHFFFAOYSA-N
ID: 100853
SMILES:C(C(C)=CCc1c(O)cc(CCCCC)cc1O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 100854
SMILES:c1(C2C=C(C)CCC2C(C)=C)c(O)c(CC=C(CCC=C(C)C)[CH])c(O)cc1CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.664
CB1 binding score: -14.387
InChIKey:TYKCHEISMIXLQO-UHFFFAOYSA-N
ID: 100855
SMILES:C12C3(C=CCC1(C)C)Oc1cc(C)cc(O)c1C2CC(CCC=C(C)C)(C)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -16.015
InChIKey:ULJYXIHWYFMRJS-UHFFFAOYSA-N
ID: 100856
SMILES:Oc1cc(CCCCC)cc2c1C1C=C(CCC=C(C)C)C(=O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -18.682
InChIKey:VAXXAKZKSONVIT-UHFFFAOYSA-N
ID: 100857
SMILES:c1c(C2C(C(C)=C)CCC(C)=C2)c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 100858
SMILES:O(c1c2c(c(C(=O)O)c(CCCCC)c1)OC(C)(C)C1=C2CC(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.698
InChIKey:VIUDTYSDJJRDEZ-UHFFFAOYSA-N
ID: 100859
SMILES:Oc1cc(CCCC)cc2c1c1c(c(O)c2)C2C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -14.511
InChIKey:XYJRCQGRILTPMD-UHFFFAOYSA-N
ID: 100860
SMILES:CC(CCC1C(CCC=C(C)C)(C)CCc2c1c(O)cc(CCCCC)c2)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.632
CB1 binding score: -13.452
InChIKey:AGEJXWMLXVJGAC-UHFFFAOYSA-N
ID: 100861
SMILES:Oc1cc(C)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.798
InChIKey:KDZOUSULXZNDJH-UHFFFAOYSA-N
ID: 100862
SMILES:C12C(C)(C)Oc3cc(CCc4nc(OC)cc(O)c4)cc(O)c3C1CC(C(C)=C)C(=O)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 491.628
CB1 binding score: -14.94
InChIKey:QZKVBKJVEJLKFP-UHFFFAOYSA-N
ID: 100863
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N