ID: 39964
SMILES:O(CC1=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.438
InChIKey:IVSJWQIARZEFQA-UHFFFAOYSA-N
ID: 39965
SMILES:C(C)(CCC=C(C)C)CC(CO)(O)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.526
CB1 binding score: -14.881
InChIKey:IIFRPMLEKCEUNN-UHFFFAOYSA-N
ID: 39966
SMILES:O=C(OC1C2C(C(C)C)CCC3(C)C(c4c(O)cc(CCCCC)cc4O3)C12)OC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -11.632
InChIKey:ZDVHUEMIVIVELA-UHFFFAOYSA-N
ID: 39967
SMILES:CCCCCc1c(-c2c(C(C)C)cc(OO)c(C)c2)c(O)c2c(c1)OC(C)(C)C1CCC(O)(C)C(=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 510.671
CB1 binding score: -15.267
InChIKey:OYNKWYZBMKHHFT-UHFFFAOYSA-N
ID: 39968
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 39969
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2O)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 39970
SMILES:c1(O)c(C(CC(C)C)=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.439
InChIKey:MMBSMBBFKYDYEQ-UHFFFAOYSA-N
ID: 39971
SMILES:C12C(C(=O)C)Cc3c(O)cc(C)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.749
InChIKey:YBUWRVFQQHNBNX-UHFFFAOYSA-N
ID: 39972
SMILES:C1(C)=CC2c3c(O)cc(CCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 39973
SMILES:C(O)(C)C1C(C)C23CC(C=C2)C(C)(C)Oc2c(c(O)cc(CCCCC=CCC)c23)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -14.128
InChIKey:ZFSIZIPNTQBGID-UHFFFAOYSA-N
ID: 39974
SMILES:C12(C)OC1c1c(cc(CCCC)cc1O)OC(C)(C)C(=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: Not available
InChIKey:OOKZWNJSBYVOJD-UHFFFAOYSA-N
ID: 39975
SMILES:CC(C)=CCCC(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.559
CB1 binding score: -18.074
InChIKey:XJNWDFKQIJOXOC-UHFFFAOYSA-N
ID: 39976
SMILES:c12c3c(O)cc(CCCCC)cc3c1OC1CC(O)CC(=C1)CC2C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -17.055
InChIKey:QBQGYQSGQIOVQU-UHFFFAOYSA-N
ID: 39977
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 39978
SMILES:CC1(C)Oc2c(c(O)c(CCCCC)c(C(OC(C)=O)C(=CC)C)c2)C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.117
InChIKey:OGZKBPKJLBXXEQ-UHFFFAOYSA-N
ID: 39979
SMILES:c1(CCCCC)ccc2c(c1O)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.872
InChIKey:ZZQISDWTJKVPKU-UHFFFAOYSA-N
ID: 39980
SMILES:c1c(CCCCC)cc(O)c2c1OC(C)(C)C1=CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -17.484
InChIKey:SFQCHTBSAMCNBB-UHFFFAOYSA-N
ID: 39981
SMILES:C1(O)C(C)(C)Oc2c(c(OC(=O)C)cc(C)c2)C2CC(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -14.341
InChIKey:HRYRSRFOIMRSIV-UHFFFAOYSA-N
ID: 39982
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.255
InChIKey:BGIBNWZALWRTHR-UHFFFAOYSA-N
ID: 39983
SMILES:C(C)(Oc1cc2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21)C(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -14.109
InChIKey:JBONCKUJKZDCNW-UHFFFAOYSA-N
ID: 39984
SMILES:c1(O)c(OC)c(O)c(C(C(C)CC)=O)c2c1C1C(C(C)(C)O2)CC=C(C(CC=C(C)C)CC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.715
CB1 binding score: -13.165
InChIKey:UNMOKBOBZBVILH-UHFFFAOYSA-N