ID: 59704
SMILES:O=C(OC)c1c(CCCCC)cc2c(c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.7
InChIKey:WLZBOSZCVJYLON-UHFFFAOYSA-N
ID: 59705
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC2C(CC3C2(C)O3)C(C)(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: Not available
InChIKey:RDIMSAZSSWHKRW-UHFFFAOYSA-N
ID: 59706
SMILES:CC1(C)Oc2cc(O)cc(CCCCC)cc22C1CC1C(C)(O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.426
InChIKey:DNRMAGSOZZOUFN-UHFFFAOYSA-N
ID: 59707
SMILES:C1C(C)=CC(c2c(O)ccc(CCCCC)c2)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.247
InChIKey:IJXLDZIYGDHKBA-UHFFFAOYSA-N
ID: 59708
SMILES:c12cc(CCCCC)cc(O)c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 59709
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)C(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.186
InChIKey:KQQMZTULVOWZJR-UHFFFAOYSA-N
ID: 59710
SMILES:C(C(C(C)=CCOC(=O)C)COc1cc(CCCCC)cc2c1OC(C)(C)C1C2O1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -13.171
InChIKey:BGTDWKUWPTXROC-UHFFFAOYSA-N
ID: 59711
SMILES:O(C)c1c(O)c(O)c2c(c1)C(=O)C1(O)C(C(C)(C)O2)CC(C(=C)C)C1(C)CC=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -14.305
InChIKey:MCLSRJJGUMVNBQ-UHFFFAOYSA-N
ID: 59712
SMILES:c1(O)c(C(=O)C)c(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.946
InChIKey:QCIXEVPAXBMYJY-UHFFFAOYSA-N
ID: 59713
SMILES:O=C1CC(C(C)C)C=CC2(C)Oc3c(cc(O)c(CC=C(C)C)c3)C(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -16.631
InChIKey:BEANKOHZJNEBON-UHFFFAOYSA-N
ID: 59714
SMILES:C=C(C)C1C(c2c(O)cc(CCCCC)c(OCc3ccccc3)c2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.594
CB1 binding score: -15.67
InChIKey:JADNZMBWVAUHGQ-UHFFFAOYSA-N
ID: 59715
SMILES:c1(OC(=O)C)cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -17.994
InChIKey:LCXOAMRAVSWHBP-UHFFFAOYSA-N
ID: 59716
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -16.993
InChIKey:MUBOGPJKKKCHCA-UHFFFAOYSA-N
ID: 59717
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(C(C)=C)CCC(O)(C)C1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.142
InChIKey:RBEAVAMWZAJWOI-UHFFFAOYSA-N
ID: 59718
SMILES:CC1(C)C2C(c3c(O)cc(CCCCC)cc3O1)C=C(C(=O)O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 59719
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCCCC)cc2OC)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.566
CB1 binding score: -16.136
InChIKey:MVEVFJKJTXTRRR-UHFFFAOYSA-N
ID: 59720
SMILES:C(CCO)CC(C)c1c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C(O)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.644
CB1 binding score: -18.057
InChIKey:HBFXDCXCNZEHAK-UHFFFAOYSA-N
ID: 59721
SMILES:C(C)(OCC1=CC2C(C(C)(C)Oc3ccc(O)cc32)CC1)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.655
InChIKey:VPSVNTHIDAELFV-UHFFFAOYSA-N
ID: 59722
SMILES:C1C(C)(C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.02
InChIKey:XVDPKZZJQYLKAD-UHFFFAOYSA-N
ID: 59723
SMILES:Oc1ccc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -16.985
InChIKey:MYRUYLQSQBCOMO-UHFFFAOYSA-N
ID: 59724
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1CC=C(C)C(=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.626
InChIKey:DQZWCFHCLMCILZ-UHFFFAOYSA-N