ID: 82468
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.625
InChIKey:NGVBNOOCWRVBSC-UHFFFAOYSA-N
ID: 82469
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 82470
SMILES:CC(=C)C1CCC(C)=CC1c1c(O)cc(CCc2ccc(OC)cc2)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.539
CB1 binding score: -15.929
InChIKey:GIKODBIEGOIOCH-UHFFFAOYSA-N
ID: 82471
SMILES:Cc1cc(CO)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.255
InChIKey:BJHRHFMWJNMNAN-UHFFFAOYSA-N
ID: 82472
SMILES:C(CCCC)c1cc2c(cc1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.869
InChIKey:GIJHEBBJNYJRQK-UHFFFAOYSA-N
ID: 82473
SMILES:C(CCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.564
InChIKey:UZOOUOIKLIZZCO-UHFFFAOYSA-N
ID: 82474
SMILES:C(c1ccccc1O)(=O)C1(C)CC(C)(C)CC(c2c(O)c(C=O)c(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -16.554
InChIKey:UQWHPSVRIDTFED-UHFFFAOYSA-N
ID: 82475
SMILES:C1(=O)Oc2c(cc(CCCCC)cc2O)C(C(C)=C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.648
InChIKey:VMCQCIOMPYJCOC-UHFFFAOYSA-N
ID: 82476
SMILES:C1=C(C)CCC(C(=C)C)C1c1ccc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 82477
SMILES:O=C(c1c(CCCCC)cc(O)c2c1OC1(C)CCC3C(C)(C)C3C21)CCc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.631
CB1 binding score: -14.605
InChIKey:NNYFKFSITHXQPZ-UHFFFAOYSA-N
ID: 82478
SMILES:C1CC2(C)Oc3c(c(OC)cc(CCCCC)c3)C3OC(C)C(CC(O)C2=C(CCC=C(C)C)C)C13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.732
CB1 binding score: -13.77
InChIKey:MGGQNZQMWYTGFK-UHFFFAOYSA-N
ID: 82479
SMILES:C12(C)CC(C1O)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -11.791
InChIKey:UYXBXZKVINMIOH-UHFFFAOYSA-N
ID: 82480
SMILES:C1(c2c(O)cc(CCCCC)cc2O)(C)CCC(=O)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -15.493
InChIKey:BVFLSOXLGXBOLJ-UHFFFAOYSA-N
ID: 82481
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)C(=C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.198
InChIKey:JJBGTOOAGWIUEX-UHFFFAOYSA-N
ID: 82482
SMILES:C(CCCCCCCCC)CCCCCC(OCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.775
CB1 binding score: -16.092
InChIKey:QJXOLDVRLKAVFZ-UHFFFAOYSA-N
ID: 82483
SMILES:c1(O)c(CC=C(C)C)cc(O)cc1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 248.366
CB1 binding score: -17.913
InChIKey:OZBDRWFBMCCJHI-UHFFFAOYSA-N
ID: 82484
SMILES:c1c2c(cc(CCCCC)c1)OCC(C)=CCCC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -15.22
InChIKey:AYNBXOGREFHFKQ-UHFFFAOYSA-N
ID: 82485
SMILES:c1(CCCCC)cc2c(c(O)c1C=O)C1C(C(C)(C)O2)CC(C)(O)C(CC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.313
InChIKey:PTSIXXNZBQVXSS-UHFFFAOYSA-N
ID: 82486
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 82487
SMILES:C12CC(C)C(OC(C)=O)CC1C(C)(C)Oc1c2c(OC(=O)C(C)C)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -12.639
InChIKey:IQYFWIFCZPONRW-UHFFFAOYSA-N
ID: 82488
SMILES:O(c1c2c(cc(C)c1)OC(C)(C)C1CC=C(C)C(O)C12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -13.647
InChIKey:APPLWVIKZXOXEA-UHFFFAOYSA-N