ID: 31858
SMILES:C1CC(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -15.388
InChIKey:FIWQWEWJTGOLEC-UHFFFAOYSA-N
ID: 31859
SMILES:Oc1cc(CCCCC)cc(O)c1C1C(CC=C(C)C)C(C)(CO)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -14.346
InChIKey:AZJDVLMMJHODPA-UHFFFAOYSA-N
ID: 31860
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cc(CCc2ccccc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -19.13
InChIKey:IWSASXREQYAISF-UHFFFAOYSA-N
ID: 31861
SMILES:C(CCCC)CCc1cc(OC)c2c(c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.446
CB1 binding score: -15.929
InChIKey:NMURRVBJRVDXJZ-UHFFFAOYSA-N
ID: 31862
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 31863
SMILES:c12c3c(co1)C(OC(=O)C)CCC3c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -13.64
InChIKey:AUELTKLHEOEWCZ-UHFFFAOYSA-N
ID: 31864
SMILES:c1(CCC)cc(O)c2c(c1)C1C(C(CO)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.243
InChIKey:KOKAEMZMACJNDI-UHFFFAOYSA-N
ID: 31865
SMILES:C1CC2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 31866
SMILES:O(c1c(OCCCCCC)c2c(c(O)c1)C1C=C(C(O)=O)CCC1C(C)(C)O2)CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.53
CB1 binding score: -16.102
InChIKey:HDJLLOIBKVDCMF-UHFFFAOYSA-N
ID: 31867
SMILES:C(CCc1cc2c(c(O)c1)C1C(CC(C)(O)CC1)OC(C)(C)C2C=CCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -8.632
InChIKey:JGKPEICOBSQHDF-UHFFFAOYSA-N
ID: 31868
SMILES:C1(C)(C)Oc2c(c(O)cc(CCc3ccccc3)c2)C2CC(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.502
CB1 binding score: -17.412
InChIKey:XVJQRVZNXSHVIF-UHFFFAOYSA-N
ID: 31869
SMILES:CC1(C)C2C(c3c(OC(=O)C)cc(CCCCC)cc3O1)C=C(CO)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.267
InChIKey:ZKDFDGJCJAKSMH-UHFFFAOYSA-N
ID: 31870
SMILES:Oc1ccc2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.379
InChIKey:NIHCMYBTJLLGPG-UHFFFAOYSA-N
ID: 31871
SMILES:C(C1CCC2(C)C(O)C1c1c(O)cc(CCC)cc1O2)C(C)(O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.145
InChIKey:IVZITYHLIZJWGQ-UHFFFAOYSA-N
ID: 31872
SMILES:C12(O)C(C)(Oc3c(c(O)cc(CCCCC)c3)C1)CCC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.647
InChIKey:DHNGYPZLVKBLIJ-UHFFFAOYSA-N
ID: 31873
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 31874
SMILES:C1(C)(O)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 31875
SMILES:C1(C)=CC2C(C(=C)C)CC(=O)OC(CCC=C(C)C)(C)c3cc(O)c(C)cc3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -16.34
InChIKey:FWBBFHULEFILHC-UHFFFAOYSA-N
ID: 31876
SMILES:CC1=CC2c3c(cccc3)OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.438
InChIKey:CBEWCUWSPDDHMI-UHFFFAOYSA-N
ID: 31877
SMILES:C(CC=C(CCC=C(C)C)C)C(C)=CCc1c(O)cc(CCc2ccc(OC)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -17.255
InChIKey:YPINPZLDNYDUJE-UHFFFAOYSA-N
ID: 31878
SMILES:Oc1c(CC=C(C)CC=CC(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.657
InChIKey:CIUZFEVFUIUDEJ-UHFFFAOYSA-N