ID: 96685
SMILES:C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.753
InChIKey:OAHHZUDLEHBUGH-UHFFFAOYSA-N
ID: 96686
SMILES:c1(O)cc(CO)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.023
InChIKey:QIUUOTOYUFAURB-UHFFFAOYSA-N
ID: 96687
SMILES:C1(=O)C2C(C)CC(O)C1C(CO)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -15.114
InChIKey:VQBUIUVPBIXWQN-UHFFFAOYSA-N
ID: 96688
SMILES:CC1(C)Oc2c(c(O)c(Br)c(C(=O)OC(C)CC)c2)C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 423.347
CB1 binding score: -16.511
InChIKey:LPNVSFCYTWVJHE-UHFFFAOYSA-N
ID: 96689
SMILES:CC(C)=CCCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 96690
SMILES:C1(C)=C(CSC(CCCCCC)Cc2ccccc2)CC(C(C)C)CC1c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.76
CB1 binding score: -17.34
InChIKey:MXPPQLGDHLFRJX-UHFFFAOYSA-N
ID: 96691
SMILES:C12C(C)(C=CCC1(C)C)Oc1c(cc(CCCCC)cc1O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -13.91
InChIKey:ARRLICKRVHXESV-UHFFFAOYSA-N
ID: 96692
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)CCC=C(C)C)(C(O)=C(C)C(=O)C1=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.591
CB1 binding score: -18.057
InChIKey:PBUHYHAKCJAEEH-UHFFFAOYSA-N
ID: 96693
SMILES:Oc1cc(O)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -19.859
InChIKey:WRBRAMOWKIFTPD-UHFFFAOYSA-N
ID: 96694
SMILES:C(C(O)=O)Cc1cc(O)c(CC=C(C)CCC=C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.143
InChIKey:QEKVOXFOINRURS-UHFFFAOYSA-N
ID: 96695
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 96696
SMILES:O=C(C)OC1CC2(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(OC)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -13.283
InChIKey:VGGWXSDRHKHETE-UHFFFAOYSA-N
ID: 96697
SMILES:C(C)CCCc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 96698
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 96699
SMILES:C1(=C)CCC2C(C)(C)Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.947
InChIKey:PQRKLJRMTUJOOO-UHFFFAOYSA-N
ID: 96700
SMILES:C(C)(C1C2Cc3c(S(O)(=O)=O)cc(CCc4ccccc4)cc3OC2(C)CC1)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 482.686
CB1 binding score: -15.526
InChIKey:NGYANGCQMAKLPT-UHFFFAOYSA-N
ID: 96701
SMILES:C(C1=CCCC2(C)CC3c4c(ccc(CCO)c4O)OC(C)(C)C3CC12)OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -17.003
InChIKey:RMNGOGYVIDIWPW-UHFFFAOYSA-N
ID: 96702
SMILES:C12(OC)C(=O)c3c4c(cc(O)c3C1c1cc(c(C)cc1O)OC2(C)C)C=CC(C)(C)O4
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.477
CB1 binding score: -15.312
InChIKey:UFBSSGQJFZBOPJ-UHFFFAOYSA-N
ID: 96703
SMILES:C1C(C)(C)C2OC(C)(CC2)Oc2c(c(O)cc(CCCCC)c2)C1OC1C(O)C(O)C(O)C(CO)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.624
CB1 binding score: -16.579
InChIKey:KXLRUAUHDKPUFT-UHFFFAOYSA-N
ID: 96704
SMILES:c1cc(OC)c(C2C=C(C)CCC2C(=C)C)c(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.214
InChIKey:AUUUQJFTUXWDQV-UHFFFAOYSA-N
ID: 96705
SMILES:C1C2(C)C(C)CCC2(O)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -15.026
InChIKey:URLSEBLDPBOFMV-UHFFFAOYSA-N