ID: 78646
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C(=C)C)CCC(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.825
InChIKey:ZOQOWBOVOPMLPU-UHFFFAOYSA-N
ID: 78647
SMILES:C12C(C(C(=C)C)CCC1(O)C)OC(=O)C2c1cc(CCCC)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -12.652
InChIKey:AIBPVJSTDCQBOL-UHFFFAOYSA-N
ID: 78648
SMILES:C(CCC)Cc1c2c(c(C(O)=O)cc1O)OC(CCC=C(C)CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -14.331
InChIKey:JCQWHXHGHNKERQ-UHFFFAOYSA-N
ID: 78649
SMILES:C1(C(C)(C)O)C(c2c(O)cc(CCCCCO)cc2O)CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.499
CB1 binding score: -15.225
InChIKey:SGMLTJBCOZAOGM-UHFFFAOYSA-N
ID: 78650
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C3C1CCC(C)(C3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.737
InChIKey:CSKAPZWNOUQJLN-UHFFFAOYSA-N
ID: 78651
SMILES:c1(O)c(-c2ccc(C#C)cc2)oc(=O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.426
CB1 binding score: -15.717
InChIKey:OLPZXYNCELHZOV-UHFFFAOYSA-N
ID: 78652
SMILES:c1(O)cc2c(c3c(cc2C)OC(C)(C)C2C3C=C(C)CC2)c(O)c1C(O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.429
CB1 binding score: -13.406
InChIKey:QKHYIKRJSNFJRV-UHFFFAOYSA-N
ID: 78653
SMILES:C1(C)=C(CCCCC)C2C(OC3C24COC(C)(C)CC4)OC(=O)C(C)=C3CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -16.134
InChIKey:SLOOBXJNFZGBPK-UHFFFAOYSA-N
ID: 78654
SMILES:C(C#CC1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.626
CB1 binding score: -14.327
InChIKey:QLCXPSZDOPKXMW-UHFFFAOYSA-N
ID: 78655
SMILES:CC(=O)OC1C2C(C)(CC3C(C)(C)Oc4c(c(OC)cc(CCC)c4)C(C13)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.207
InChIKey:WCPSJDDSNHNYLY-UHFFFAOYSA-N
ID: 78656
SMILES:c12c(c(CC=C(C)C)c(CC=C(C)C)cc1O)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.554
CB1 binding score: -15.697
InChIKey:DDGTZZUGFQTSBC-UHFFFAOYSA-N
ID: 78657
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)=C1OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -18.553
InChIKey:XSDMWWSDDRFSMA-UHFFFAOYSA-N
ID: 78658
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 78659
SMILES:C(C(C(Br)=C)Cl)(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 441.793
CB1 binding score: -12.337
InChIKey:MTNTVNWJVGFMMM-UHFFFAOYSA-N
ID: 78660
SMILES:C12C(O)(C)CCC3C1C(C)(CCCC2(C)C)Oc1cc(CCCCCC)cc(O)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -14.869
InChIKey:FJXCKGRTGWZIPB-UHFFFAOYSA-N
ID: 78661
SMILES:CC1(C)Oc2c(c(O)c(C)c(O)c2CCC(O)(C=C)C)C2CC2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -17.048
InChIKey:JERMHHXERBRIIC-UHFFFAOYSA-N
ID: 78662
SMILES:CC1=CC2C(CC1)C(C)(C)Oc1c2ccc(O)c1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -18.344
InChIKey:QWDRQWJIEFPPBL-UHFFFAOYSA-N
ID: 78663
SMILES:C1Oc2cc(C(OC)=O)c3c(c21)OC(C)(C)C1C3C=C(CCC=C(C)C)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -13.928
InChIKey:KBHQDGQQJAZYIA-UHFFFAOYSA-N
ID: 78664
SMILES:C(O)C1=C2CCC(C(O)=O)CC2c2c(O)cc(CCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -13.536
InChIKey:JZQFFXCGJMJLIZ-UHFFFAOYSA-N
ID: 78665
SMILES:C(O)C1=CC2c3c(cc(OC(=O)CCCCCCCCCCCCCCCCC)cc3OC)OC1(C)CCC=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.893
CB1 binding score: -16.169
InChIKey:UQTVVXVHYGDDIF-UHFFFAOYSA-N
ID: 78666
SMILES:Cc1c(C2C=C(C)CCC2C(=C)C)c(O)cc(C(C)(C(C)=C)O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.426
InChIKey:JRIRSSFKQXWACX-UHFFFAOYSA-N