ID: 40993
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C(O)(C)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -17.942
InChIKey:PRKDRANYBPHDBW-UHFFFAOYSA-N
ID: 40994
SMILES:OC1(C)C=C2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.296
InChIKey:FZAGTOJLWTUWJG-UHFFFAOYSA-N
ID: 40995
SMILES:C1(C2C(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCCC)c4)C3O2)C2C(C)(CC(O)C1C(C)(OS(O)(=O)=O)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 608.838
CB1 binding score: -13.821
InChIKey:IDRHPGMVZJOAHT-UHFFFAOYSA-N
ID: 40996
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 40997
SMILES:c1c(O)cc2c(c1)C1C(C(C)(C)O2)CC=C(CO)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.198
InChIKey:MAPAGNXEJQTXMR-UHFFFAOYSA-N
ID: 40998
SMILES:CC1(c2c(Oc3c(O)c(C(OC)=O)c(O)c(CC=C(CCC=C(C)C)C)c3)cc(O)cc2O)C=CC(C)(C)CC1C1(C)CCC(C(C)(C)O)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 692.89
CB1 binding score: -14.251
InChIKey:HPUGQHNBMGQTNC-UHFFFAOYSA-N
ID: 40999
SMILES:c1c(C(=O)Oc2cc3c(cc2)C2C(CC3)C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c(O)c3C2C)ccc(C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 600.752
CB1 binding score: -15.107
InChIKey:YERWJUYIZGLXLY-UHFFFAOYSA-N
ID: 41000
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)(O)C)c(C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -15.949
InChIKey:UEEJYLUQQIUFRE-UHFFFAOYSA-N
ID: 41001
SMILES:C=C(C)C1CC=C(C)CC1c1c(O)ccc(CCC(O)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -15.929
InChIKey:NSSQURRRZKEJBV-UHFFFAOYSA-N
ID: 41002
SMILES:C1CC(C)C2(C)C(=C1O)c1c(cc(CCCCC)cc1O)OC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.731
InChIKey:QKXYZZZHVVAWBV-UHFFFAOYSA-N
ID: 41003
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1O)CCCC(C(=O)CC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -16.8
InChIKey:HWFVLTAHYDKAPP-UHFFFAOYSA-N
ID: 41004
SMILES:C(C(C)=CCc1c(O)c(C(=O)O)c(CCC)cc1O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -19.667
InChIKey:FAVCTJGKHFHFHJ-UHFFFAOYSA-N
ID: 41005
SMILES:c1c(O)cc2c(c1CCCCC)CC(C(C=CC=C(CCC=C(C)C)C)CO)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.642
InChIKey:FIYUMFUVRJJYGD-UHFFFAOYSA-N
ID: 41006
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C(CCC(C)=C1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.409
InChIKey:QGMPUBRBTGYUQF-UHFFFAOYSA-N
ID: 41007
SMILES:COC(c1c2c3c(c4c(c5c(cc(C)c(O)c5OCc4ccc(O)cc1)O3)CCCC(C)(C)O)C1C(C(C)(C)O2)O1)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 604.74
CB1 binding score: -14.454
InChIKey:DOZLULLBVVOLLU-UHFFFAOYSA-N
ID: 41008
SMILES:CC12CCC1C(C)(C)Oc1cc(CCCCC)cc(OC(C)=O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.868
InChIKey:DMAYJJWKDKWESX-UHFFFAOYSA-N
ID: 41009
SMILES:c1(CCC2(C)OC(CC(C)=CCc3cc(O)ccc3O)CC(C)=CC2)cc(C)c(CO)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -12.875
InChIKey:OJOMCTJLVRAPFB-UHFFFAOYSA-N
ID: 41010
SMILES:C(=C(C)C)C(O)Cc1c2c(O)cc(C)cc2nc2c1C1C=C(CCC=C(C)C)C(=O)OC1CC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 475.629
CB1 binding score: -17.947
InChIKey:RXPHJVZXNPJCLW-UHFFFAOYSA-N
ID: 41011
SMILES:Cc1c(O)c(O)c(C=O)c2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.791
InChIKey:WFDZNGOCMCRGON-UHFFFAOYSA-N
ID: 41012
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 41013
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C2C(C)=CC(C)C2C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.536
CB1 binding score: -11.791
InChIKey:RVUSMTRVMMGBBN-UHFFFAOYSA-N