ID: 125455
SMILES:Oc1cc(CCCCC)cc2c1C1C(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: 125456
SMILES:Cc1cc(CC(=C)C2CC3C(C)(C)OC(=O)C3(C)C2)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -11.661
InChIKey:CLAFFKAJAQTVKH-UHFFFAOYSA-N
ID: 125457
SMILES:c12cc(CCC(C(C)(C)O)Br)cc(O)c1CCC(C1=CC(=O)C(C)=CC1=O)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 463.368
CB1 binding score: -14.684
InChIKey:NMBSXBCPAACESD-UHFFFAOYSA-N
ID: 125458
SMILES:C12CCC(C)=CC1c1c(OC)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 125459
SMILES:C(=CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.706
InChIKey:VVJOPMGCSBFRPW-UHFFFAOYSA-N
ID: 125460
SMILES:CCCCCCc1cccc2c1-c1cc(C)ccc1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.465
CB1 binding score: -12.219
InChIKey:IOUNSDPCROGSDI-UHFFFAOYSA-N
ID: 125461
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -21.398
InChIKey:WPVARKYNWHKQMW-UHFFFAOYSA-N
ID: 125462
SMILES:C1(C(=O)OC)OC(Oc2c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc(CO)c2)C(NC(CO)CO)C(O)C1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 621.768
CB1 binding score: -15.526
InChIKey:SGFCKKVGXXVJKW-UHFFFAOYSA-N
ID: 125463
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC2(C)O1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -16.352
InChIKey:YTVFMKSRHMNBGC-UHFFFAOYSA-N
ID: 125464
SMILES:CC(OC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.849
InChIKey:POECAUQTZFQFPB-UHFFFAOYSA-N
ID: 125465
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 125466
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 125467
SMILES:COc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)C(=O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.393
InChIKey:HMDAELMGHMURDV-UHFFFAOYSA-N
ID: 125468
SMILES:C12CC(O)C(=C)CC1c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.941
InChIKey:YRXPGUPXVCGYGF-UHFFFAOYSA-N
ID: 125469
SMILES:CC(OC1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2C1(C)C(CC=C(C)C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.65
CB1 binding score: -13.28
InChIKey:JSUOWRCYDPSIHV-UHFFFAOYSA-N
ID: 125470
SMILES:O(C(C)=O)C(CCc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -15.143
InChIKey:JDOXDNRQKLGURR-UHFFFAOYSA-N
ID: 125471
SMILES:c12c(CCCC)cc(O)cc1C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -14.651
InChIKey:RRWKHFOLZHJZSV-UHFFFAOYSA-N
ID: 125472
SMILES:C12C(C(C)(C)Oc3c(c(O)cc(C(C(C)OC(C)=O)C)c3O)C1)CC(C)C(=O)CC=C(C)CCCC2=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.687
CB1 binding score: -16.503
InChIKey:AIKVTSLWGONKII-UHFFFAOYSA-N
ID: 125473
SMILES:CC1(C)C(=O)CC(=O)c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.633
InChIKey:NOHZUMWHPRNZNM-UHFFFAOYSA-N
ID: 125474
SMILES:C1(C)(C)C2C(O)(CC(C)=CC1)c1c(cc(CC)cc1O)OC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -14.616
InChIKey:IOSZHLVIAVUERZ-UHFFFAOYSA-N
ID: 125475
SMILES:C1C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.187
InChIKey:QHPAAFINTQBRPR-UHFFFAOYSA-N