ID: 92758
SMILES:C1(C(C)C)C(c2c(O)cc(O)cc2CCCCC)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.593
InChIKey:RHRYIQNXICLAPT-UHFFFAOYSA-N
ID: 92759
SMILES:C1(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 92760
SMILES:C(C=CC(OO)(C)C)(C)=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -14.935
InChIKey:MOUGQPWUXNOPDH-UHFFFAOYSA-N
ID: 92761
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 92762
SMILES:c1c(C(O)OC)cc(=O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.113
InChIKey:DYPCMKDUTYYGOW-UHFFFAOYSA-N
ID: 92763
SMILES:C(C)CCCc1cc(O)c(C2C(C(C)=C)C(C)(CCCC)CC2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.567
CB1 binding score: -16.03
InChIKey:ZBTDDYXUMPIKFD-UHFFFAOYSA-N
ID: 92764
SMILES:c12c(O)cc(CCC)cc1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 92765
SMILES:c1(CC=C)c(C(=O)O)c2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -15.542
InChIKey:LHAYBXVWQINLFO-UHFFFAOYSA-N
ID: 92766
SMILES:CC12CCC3C(C)(C)Oc4cc(CCN(C)C)cc(O)c4C13CC=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 355.522
CB1 binding score: -14.642
InChIKey:GEPHSSYGUKDSFG-UHFFFAOYSA-N
ID: 92767
SMILES:CC(CCC=C)=CCCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.559
CB1 binding score: -14.709
InChIKey:IRENHHZXIVORRD-UHFFFAOYSA-N
ID: 92768
SMILES:c1(OC)c2c(c(C(CC)C)c(OC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.425
InChIKey:MKRLUQLOWOQTEV-UHFFFAOYSA-N
ID: 92769
SMILES:C(C)(=O)OC1CC(C)=CCC2C(C)(C)Oc3cc(CCCCC)c(C(OC(=O)C)COC(C)=O)c3c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -15.584
InChIKey:OJMQTOSZQCIUSM-UHFFFAOYSA-N
ID: 92770
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(O)=C(C)C)OC13C(=O)C(C)(C(C)C2)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -12.247
InChIKey:WLMALOMDWGBAMV-UHFFFAOYSA-N
ID: 92771
SMILES:Oc1c2c(cc(CCCCC)c1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.996
InChIKey:XXGMIHXASFDFSM-UHFFFAOYSA-N
ID: 92772
SMILES:CCCCCc1c(O)c2c(c(C(CCCC)=O)c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.737
InChIKey:AUQAXWFGAUZSJD-UHFFFAOYSA-N
ID: 92773
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -20.728
InChIKey:RECLSNODOVFMMU-UHFFFAOYSA-N
ID: 92774
SMILES:CC1C(O)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 236.311
CB1 binding score: -17.334
InChIKey:FRBFRCJXUINRCE-UHFFFAOYSA-N
ID: 92775
SMILES:CC(C)(C1C(c2c(O)cc(CC)cc2O)C=C(C)CC1)OC1OC(CO)C(O)C(O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.544
CB1 binding score: -16.456
InChIKey:DXDSSHCQOVBZBS-UHFFFAOYSA-N
ID: 92776
SMILES:CC(C1(OO)C(O)CC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.475
CB1 binding score: -15.533
InChIKey:NVSWAYBKABZPCG-UHFFFAOYSA-N
ID: 92777
SMILES:c1(CCCc2cocc2)cc(CCCCCC)cc2c1CC(C(C)(C)O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 370.533
CB1 binding score: -18.055
InChIKey:YIMYAOKUTLYDCI-UHFFFAOYSA-N
ID: 92778
SMILES:C12CC(=O)OC13C(C=C(C)C)C=CCCC3(C)Oc1cc(C)cc(O)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.446
CB1 binding score: -15.29
InChIKey:BPEDEWOLVRVRJS-UHFFFAOYSA-N