ID: 40867
SMILES:C1CCC(C)(C)C2C(O)c3c(cc(CCCCC)cc3O)OC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.96
InChIKey:DDIVQORSYYKRDX-UHFFFAOYSA-N
ID: 40868
SMILES:CC(C)=CC(=O)CC(=CCc1c(O)cc(CCCCC)c(C=O)c1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 358.478
CB1 binding score: -16.502
InChIKey:YIQLBWUOCLEQAQ-UHFFFAOYSA-N
ID: 40869
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 40870
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.39
InChIKey:XYVYYOIVTVDZLR-UHFFFAOYSA-N
ID: 40871
SMILES:c1c(C(=O)O)c2c(c(O)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.343
CB1 binding score: -16.654
InChIKey:WEKRECPBYKLYEE-UHFFFAOYSA-N
ID: 40872
SMILES:c12c(cc(C(O)C)cc1)OC(C)(C)C1C2CC(O)(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -12.465
InChIKey:XUHLMPCMCOGYSR-UHFFFAOYSA-N
ID: 40873
SMILES:C1C(C(O)(C)C)C(c2oc3c(c2O)cc(CCCCC)cc3OC(=O)C)CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -14.406
InChIKey:LCANZDMLZDSGOG-UHFFFAOYSA-N
ID: 40874
SMILES:C1c2c(cc(CCCCC)cc2O)OC(CCC=C(CCC=C(C)C)C)(C)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -16.935
InChIKey:OXLOEQMROBZWBN-UHFFFAOYSA-N
ID: 40875
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)c1c-2cc(CO)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.599
InChIKey:LXXHDHCQUNVFFK-UHFFFAOYSA-N
ID: 40876
SMILES:c12c(c(OC)cc(CCCCC)c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -16.86
InChIKey:WUNGSWCTAIHMFF-UHFFFAOYSA-N
ID: 40877
SMILES:C(C)Cc1cc(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.157
InChIKey:ZCWLNVDEFJORDC-UHFFFAOYSA-N
ID: 40878
SMILES:C1C2c3c(cc(CCCCC)cc3O)OC(C)(C1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.402
InChIKey:LXADBAQHQWMXJF-UHFFFAOYSA-N
ID: 40879
SMILES:C(Oc1cc2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12)(=O)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -12.845
InChIKey:ZWCZMWGETPGICO-UHFFFAOYSA-N
ID: 40880
SMILES:C(CCC(=CCc1c(O)c(CCC)cc2c1OC(C)(C)C1C2C=C(C(=O)O)CC1)C)C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -15.636
InChIKey:DQFZBCNEOCFKSM-UHFFFAOYSA-N
ID: 40881
SMILES:c1(O)cc(CCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 40882
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2O)C2C1CCC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.842
InChIKey:ZVZRSLDINWLUFX-UHFFFAOYSA-N
ID: 40883
SMILES:c1(O)c2c(ccc1)OC(C)(C)C1C2CC(=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -15.538
InChIKey:UTZHXMWVUALWRI-UHFFFAOYSA-N
ID: 40884
SMILES:OCC1C2COC13c1c(O)cc(CCCCC)cc1OC3(C)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.753
InChIKey:JHUGXLVENYTDDX-UHFFFAOYSA-N
ID: 40885
SMILES:Oc1cc(CCCCC)cc2c1-c1c3c(cc(C)c1OC23)OC1(C)C=CC(=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.588
CB1 binding score: -13.759
InChIKey:MGINEUJEQVSQOX-UHFFFAOYSA-N
ID: 40886
SMILES:C1=C2C(CC(O)C1(O)C)C(C)(C)Oc1cc(CCCCC)cc(c1O)C2C(C(CC)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -15.385
InChIKey:OBFDCHQZJQRICN-UHFFFAOYSA-N
ID: 40887
SMILES:C1CC(C(O)(C)C)C2(C(=O)C(C)=CC2)c2c(O)c(OC)cc(CCCCC)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.508
InChIKey:VSSLXXZOWBADPP-UHFFFAOYSA-N