ID: 77806
SMILES:C12C(O)(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.762
InChIKey:ICMJYQRNULRNTK-UHFFFAOYSA-N
ID: 77807
SMILES:C(CC=C(C)C)C(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 77808
SMILES:C1C(=C)C=CC(C(C)C)C1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.453
InChIKey:LSDIESPCRGAXGU-UHFFFAOYSA-N
ID: 77809
SMILES:C(=C(C)CCC=C(C)C)Cc1c(O)c(C(=O)O)c(CCCCC)c(C2C=C(C=O)CCC2C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.715
CB1 binding score: -18.195
InChIKey:GMGJBNPVJPLBTG-UHFFFAOYSA-N
ID: 77810
SMILES:C=C(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 77811
SMILES:C1(=O)C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.594
InChIKey:BZTCKHPFHKOYJY-UHFFFAOYSA-N
ID: 77812
SMILES:CCCCCCc1c2c(cc(c1)CC(O)CC(CCc1cc(OC)c(O)cc1)=C)OC(C)(C)C(=O)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.699
CB1 binding score: -16.857
InChIKey:QSHSMQKFZJEEQQ-UHFFFAOYSA-N
ID: 77813
SMILES:c1(C(=NC)O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 371.521
CB1 binding score: -16.454
InChIKey:WSQGARFNKLXYPL-UHFFFAOYSA-N
ID: 77814
SMILES:c1c(OC)ccc2c1-c1c(cc(CCCCC)cc1O)OC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.382
CB1 binding score: -16.162
InChIKey:AJYWXWLDRWRUPM-UHFFFAOYSA-N
ID: 77815
SMILES:C1(C)(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 77816
SMILES:C1(C(=C)C)Cc2c(C(O)=O)c(CCCCC)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.593
InChIKey:YTRUCSGJPSHWPP-UHFFFAOYSA-N
ID: 77817
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C2C(O)(CCC2=C)C(C)(O)CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.994
InChIKey:JIIUAJIYCXWYOH-UHFFFAOYSA-N
ID: 77818
SMILES:C12C(CC(=C(C)C)C1)c1c(cc(O)cc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.116
InChIKey:SBDRTHSXPLKMQR-UHFFFAOYSA-N
ID: 77819
SMILES:C1CC2C(C)(CCC3(C(=C)C)Oc4c(c(O)cc(CCCCC)c4)C3=C2)C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.494
InChIKey:WTWUOEMLOFWZRK-UHFFFAOYSA-N
ID: 77820
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 77821
SMILES:Cc1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.429
InChIKey:XPSKJZJUYWELLG-UHFFFAOYSA-N
ID: 77822
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(C)c(O)cc3C(C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 300.442
CB1 binding score: -13.484
InChIKey:SMIMKVGQNNKUOS-UHFFFAOYSA-N
ID: 77823
SMILES:C1CCC(C)=C(CCC(=CC(CC(=CCc2c(O)c(C)cc(O)c2)C)OC)C)C=C1CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -17.081
InChIKey:ZPRVBEQFCHVUMA-UHFFFAOYSA-N
ID: 77824
SMILES:Oc1c2c(cc(CCCCC)c1)C1CC(C(=C)C)CC=C(C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: Not available
InChIKey:OIKZBCLYQYUZJJ-UHFFFAOYSA-N
ID: 77825
SMILES:O1C(CCCC(C)(C)CCC(C)=CCc2c(O)c(C)cc(OC)c2)=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -13.619
InChIKey:MCLXRIYLADJODG-UHFFFAOYSA-N
ID: 77826
SMILES:C(C)CCc1c(O)cc(C2C(C(=C)C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -14.275
InChIKey:FCYVUUGKINOVNP-UHFFFAOYSA-N