ID: 42568
SMILES:C1(C)(C)C2CC=C(C)CC2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 42569
SMILES:C1C(Br)C(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 327.262
CB1 binding score: -18.565
InChIKey:QNWMKTBWRYYNDW-UHFFFAOYSA-N
ID: 42570
SMILES:CC1(C)Oc2cc(C)cc(O)c2C2C1CC(C(C)=C)C(C)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -14.919
InChIKey:KYSOGQPRCYCGOF-UHFFFAOYSA-N
ID: 42571
SMILES:C1(O)(C)CCC2C(O)(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCC)c4)C132
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -11.797
InChIKey:KTGUSZSIWWEXCA-UHFFFAOYSA-N
ID: 42572
SMILES:Oc1cc(CCCCC)c(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 42573
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(=C)C)CCC1(C)C(O)CC2C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.306
InChIKey:GQQICWOMGQHEDI-UHFFFAOYSA-N
ID: 42574
SMILES:O(C(C)(C)C1Oc2c(c(O)cc(CCCCC)c2)C2C1C(C=O)=CCC2C(C)C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -16.24
InChIKey:OCGBWFQSSJIXMZ-UHFFFAOYSA-N
ID: 42575
SMILES:C(O)c1c2c(ccc1)-c1c(cc(CCCCCO)cc1OC)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.957
InChIKey:GBVHCCDMHXDXPY-UHFFFAOYSA-N
ID: 42576
SMILES:c1(O)c(C2C=C(C)CCC2C(=C)C)c(O)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.957
InChIKey:ZSBGNUPOFUYDMQ-UHFFFAOYSA-N
ID: 42577
SMILES:O=C(C1=Cc2c(cc(CCCCC)cc2O)OC1C)O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -16.015
InChIKey:BMRDYJGLVWIFAS-UHFFFAOYSA-N
ID: 42578
SMILES:C(Cc1cc(O)c(C2C(C(=CCC=C(C)C)C)CCC(C)=C2)c(O)c1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.669
InChIKey:LYMAPGWCWJQDSG-UHFFFAOYSA-N
ID: 42579
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C=C2C(CCC(=O)OC)(C)C1C(C(O)=O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -16.777
InChIKey:XAIIFKCAFZIWGJ-UHFFFAOYSA-N
ID: 42580
SMILES:C(C=C(C)C)CC1(C)Oc2cc(CCCCC)c(O)c(O)c2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.706
InChIKey:GEUHDJTXTJLBGV-UHFFFAOYSA-N
ID: 42581
SMILES:c1(CCCCC)cc(O)cc2c1CC(O)C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -16.97
InChIKey:AAMBLZHCTYZEJW-UHFFFAOYSA-N
ID: 42582
SMILES:C(C=C1c2c(O)cc(CCCCC)cc2OC(C)(C)C(O)C1)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.856
InChIKey:ZBNCHMDKRYNUNW-UHFFFAOYSA-N
ID: 42583
SMILES:C12C(C=C(C)C)Oc3c(c(O)cc(C)c3)C1OC(C(CC)C)=C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.472
InChIKey:SYJJTMGROHMBFY-UHFFFAOYSA-N
ID: 42584
SMILES:O=C(OCc1cc(Cl)c(O)c(C2C(C(=C)C)CCC(C)=C2)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.843
CB1 binding score: -16.119
InChIKey:WASSWULTTPJBOX-UHFFFAOYSA-N
ID: 42585
SMILES:C1C2C3=C(C(C)CC)OC(C)(C)C3CCC2(C)Oc2c1c(O)c(C(O)=O)c(CCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: -14.435
InChIKey:IAZLLYAKLYMTNH-UHFFFAOYSA-N
ID: 42586
SMILES:C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)c1cc(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.458
CB1 binding score: -17.656
InChIKey:XWNNNOWBUBGCMX-UHFFFAOYSA-N
ID: 42587
SMILES:C(Cc1cc(O)cc(C2C=C(C)CCC2C(=C)C)c1)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -16.461
InChIKey:BXQZEVNCKLCJQX-UHFFFAOYSA-N
ID: 42588
SMILES:Cc1cc2c(cc1CCCC(C)C)C(C)(C)Oc1c(cccc1)-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.465
CB1 binding score: -15.876
InChIKey:KIBVOLOVSIOPLY-UHFFFAOYSA-N