ID: 82804
SMILES:c1(O)c2c(c(C(C(CC)C)=O)c(O)c1)OC(C)(C)C1CCC(C)(O)CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.912
InChIKey:FVBZOAKTRQYEBD-UHFFFAOYSA-N
ID: 82805
SMILES:C(C)(=CCCC1(C)C=Cc2c(cc(CCCCC)cc2O)O1)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 82806
SMILES:C1(O)=C2c3c(cc(CCCCC)cc3OC2(C)C)CC(C)=C2CC(O)C(O)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -16.638
InChIKey:ZXJDTCBJDKXQSG-UHFFFAOYSA-N
ID: 82807
SMILES:C1C(C)(C)CC2Cc3c(cc(CCC)cc3O)OC2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -14.854
InChIKey:XMDVTBQDEARSHZ-UHFFFAOYSA-N
ID: 82808
SMILES:Oc1ccc(C(=O)OC)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -11.786
InChIKey:RJPFLBRORNNGLK-UHFFFAOYSA-N
ID: 82809
SMILES:CC1=CC(c2c(O)ccc(O)c2C(=O)C(CC)C)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.625
InChIKey:PHKBJZQFXKFUHW-UHFFFAOYSA-N
ID: 82810
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 82811
SMILES:O1C(c2c(C)cc(O)c3c(C)cc(O)c4c3c(c2)OC(C)(C)C2CCC(C)=CC24)=CC(C)(C)OC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.613
CB1 binding score: -15.492
InChIKey:PCOMCDLOTKAKJV-UHFFFAOYSA-N
ID: 82812
SMILES:C12C(C)(CCC1C(C)C)C(CCC(=O)C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.78
InChIKey:OFXGBAXKLAYVCB-UHFFFAOYSA-N
ID: 82813
SMILES:C1(CO)OC(Oc2cc(CC=C(CCC=C(C)C)C)c(O)c(CC=C(C)C)c2)C(O)C(O)C1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -16.791
InChIKey:PPWHLZBMWKDMDX-UHFFFAOYSA-N
ID: 82814
SMILES:C(O)C1=CC(OC2C(O)C(O)C(O)C(COC(C)=O)O2)OC2OCC3(C2C1)Oc1cc(CCCCC)cc(O)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 566.6
CB1 binding score: -13.798
InChIKey:PTFHJIVRRXCDLJ-UHFFFAOYSA-N
ID: 82815
SMILES:C(c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)=C(C)C#CC1C(C(O)C)C(CC)OC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.602
CB1 binding score: -16.285
InChIKey:VTVDWFLVEJHYFQ-UHFFFAOYSA-N
ID: 82816
SMILES:C1(=O)OC(C(=C)C)CCC2(C)C1=Cc1c3c2c(cc1)-c1c(OC)cc(CCCCC)cc1O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.571
CB1 binding score: -13.622
InChIKey:IEAHZTPXDKFXMS-UHFFFAOYSA-N
ID: 82817
SMILES:c1(O)ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.912
InChIKey:JKUWZILTAIFPQY-UHFFFAOYSA-N
ID: 82818
SMILES:Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 82819
SMILES:O=C(O)CCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -17.274
InChIKey:NKVXDLUYNQVIMY-UHFFFAOYSA-N
ID: 82820
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 82821
SMILES:C1(C=C)C(CC2c3c(cc(CCCCC)cc3O)OC2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.23
InChIKey:JZZJNQMFOJMWNG-UHFFFAOYSA-N
ID: 82822
SMILES:c1(CCCCC)cc(O)c2c(c1O)C1C(C(=C)C)CCC(C)=C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.735
InChIKey:WARVAXVOPDOFSL-UHFFFAOYSA-N
ID: 82823
SMILES:C1=CCCC(=O)OC(C)(C)C2CC=C(CCC=C(CO)C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -13.101
InChIKey:HUTZEVHURPWJNU-UHFFFAOYSA-N
ID: 82824
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N