ID: 72556
SMILES:O(c1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC2(C)C(C)(C1=O)CCCC2C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -16.635
InChIKey:LAVFQKNHCHKXMK-UHFFFAOYSA-N
ID: 72557
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 72558
SMILES:O=C(OCCc1c2c(c(O)c(CC(C)O)c1)OC(C)(C)C1C2C=C(C)CC1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -17.121
InChIKey:ALCXHZLZLAIZKY-UHFFFAOYSA-N
ID: 72559
SMILES:C1C=C(C)CCC2C(C)(C)Oc3c(c(O)c(C=O)c(C(CCCCC)O)c3O)C2CC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.639
CB1 binding score: -11.685
InChIKey:IESPWVHFWVMVIC-UHFFFAOYSA-N
ID: 72560
SMILES:CC(C)=C1C(c2c(O)cc(CCCC)cc2)OC(C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -15.929
InChIKey:URVOJQSWTLVXTD-UHFFFAOYSA-N
ID: 72561
SMILES:C1C(=C)C2CCC1C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -13.951
InChIKey:VTDGABDEGGWBRD-UHFFFAOYSA-N
ID: 72562
SMILES:C1(Cc2c(O)cc(CCCCC)cc2O)C(C)(C)OC(C(CO)=CCCC(CC)C)CC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.671
CB1 binding score: -11.814
InChIKey:LNHPVVFFWYRZNI-UHFFFAOYSA-N
ID: 72563
SMILES:C12C(C)CC(c3c(O)cc(CCCC)cc3O)OC(C)(C)C1CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -13.497
InChIKey:KFBMRSLKXBZKTN-UHFFFAOYSA-N
ID: 72564
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C2C(O)(C)C(O)CC2C(C)(C)OC1C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.601
CB1 binding score: -15.436
InChIKey:AODCAMJVPTZGQU-UHFFFAOYSA-N
ID: 72565
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 72566
SMILES:O=C1c2c(c(CCCCC)cc(O)c2)OC(C)(C)C2CCC(C)=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.506
InChIKey:NHLHPRNQCCZOCO-UHFFFAOYSA-N
ID: 72567
SMILES:C1C2(C)Oc3c4c(cc(CCCCC)c3)OC(C)(C)C3C(C2C(C)(C2(O)C1=O)C1(C)CCC(C2(C)C)C1)=C(Cl)C(=O)C3=CC4
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 621.258
CB1 binding score: -13.919
InChIKey:FZHGAWAFLUTULV-UHFFFAOYSA-N
ID: 72568
SMILES:C(C)CCCc1cc(O)c(-c2cc(C)co2)c2c1OC(CCC1C(C)(C)O1)(C)C1C2(C)C(C)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: -15.885
InChIKey:KYWXRJKWBMHCFI-UHFFFAOYSA-N
ID: 72569
SMILES:C(CCC)Cc1cc(OC)c2c(c1)OC(C)(C)c1c-2cc(C)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -16.078
InChIKey:GRGVTVAQBQJGSO-UHFFFAOYSA-N
ID: 72570
SMILES:C(C1(C)Oc2cc(C)c(C(=O)OC)c(O)c2C2C1CCC(C=O)=C2)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -16.911
InChIKey:VQVAADWWDRMJQY-UHFFFAOYSA-N
ID: 72571
SMILES:c12cc(CCCCC)cc(O)c1C1OC=C(C)C3CCC(C)(O1)C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.257
InChIKey:KZLQUGXUADWSJJ-UHFFFAOYSA-N
ID: 72572
SMILES:C12C(O)(CC(=O)C1(C)C)c1c(O)cc(CCCCC)cc1OC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.953
InChIKey:XSZYRAPNIUQGGS-UHFFFAOYSA-N
ID: 72573
SMILES:c1(O)cc(Cl)cc(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.78
CB1 binding score: -11.591
InChIKey:SAKIEGAFLYPNTM-UHFFFAOYSA-N
ID: 72574
SMILES:O=C(C)Oc1c(CCCCC)cc(O)c2c1OC1(C(O)=C(C(CCC=C(C)C)C)C(C)O1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -13.26
InChIKey:MKFPHJAKGLZMCS-UHFFFAOYSA-N
ID: 72575
SMILES:C(C)CCc1cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 370.577
CB1 binding score: -17.904
InChIKey:JONDGGRUEMBEJM-UHFFFAOYSA-N
ID: 72576
SMILES:C1(C)CCCC2C(O)c3c(c(C(=O)O)c(CCCCC)cc3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: -15.929
InChIKey:IVNBTMPQGRZQND-UHFFFAOYSA-N