ID: 100003
SMILES:O1C(CC(C)=CCc2c(OC)c(C)cc(OC)c2)C(C(=C)C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.438
InChIKey:MRQPJCGPSPUDPJ-UHFFFAOYSA-N
ID: 100004
SMILES:O=c1cc2c(cc(CCCCC)c1)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -14.593
InChIKey:ZKOSOWBQGFQTLS-UHFFFAOYSA-N
ID: 100005
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)c(O)c(O)c3C(CC(=C)C=CC=C1C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -15.929
InChIKey:IUFYFPSGJVSKQG-UHFFFAOYSA-N
ID: 100006
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CC3C(C)(CCCC3(C)C)O1)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -16.015
InChIKey:SLPQIFPWILXNMX-UHFFFAOYSA-N
ID: 100007
SMILES:CC(C1C2c3c(cc(CCCCC)cc3OC2C=C(C)C)C(CO)C1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -13.038
InChIKey:WAPPYOFATVGWDN-UHFFFAOYSA-N
ID: 100008
SMILES:C1Oc2c(c(O)cc(CCCCC)c2)C1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -17.182
InChIKey:DSUNEXXIELRDPB-UHFFFAOYSA-N
ID: 100009
SMILES:C1c2c(cc(C)cc2O)OC(C)(C)C2C1C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.351
InChIKey:DAUOTHIBRUWCJV-UHFFFAOYSA-N
ID: 100010
SMILES:C1(O)C2(c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC(=C)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.088
InChIKey:MFSWVNBNDVRIRY-UHFFFAOYSA-N
ID: 100011
SMILES:C1(C)=CC(c2ccc(CCC(CCCCCC)O)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.578
CB1 binding score: -15.749
InChIKey:PGWPSUWNQPWTLX-UHFFFAOYSA-N
ID: 100012
SMILES:C1C2C(C)(C)Oc3cc(C(C)C)c(O)c(O)c3C2C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 290.403
CB1 binding score: -17.432
InChIKey:CINHAAAFSKBRSX-UHFFFAOYSA-N
ID: 100013
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 100014
SMILES:C1C(CCC(=O)C)C(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.334
InChIKey:CIQZZOIDEHBPQD-UHFFFAOYSA-N
ID: 100015
SMILES:CC(=CCCC(C)=CCCC(C)=CCc1c(-c2ccccc2)c(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.804
CB1 binding score: -16.335
InChIKey:YYXDKHVTVMROTO-UHFFFAOYSA-N
ID: 100016
SMILES:OCc1ccc2c(c1)-c1c(cc(CCCCC)cc1O)OC(C)(C)C2=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -15.716
InChIKey:PQZZEFWTQXPLQF-UHFFFAOYSA-N
ID: 100017
SMILES:C1(C)=CC(O)CC(C)=CC2C(C(CO)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.959
InChIKey:DFSJKSMZIUQSCF-UHFFFAOYSA-N
ID: 100018
SMILES:C1CC(C(C(O)=O)(C)C)C(c2c(O)cc(CCCCC)cc2O)C2OC2(C)CCC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.885
InChIKey:FNYUXKYVQMHNDU-UHFFFAOYSA-N
ID: 100019
SMILES:C1(C=O)=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -17.388
InChIKey:PIKSJDGBORBNLV-UHFFFAOYSA-N
ID: 100020
SMILES:c12c(cc(CC)cc1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.588
InChIKey:JZEQHRTZXSCBRS-UHFFFAOYSA-N
ID: 100021
SMILES:C(O)C1CC2c3c(O)cc(CCCCC)cc3OC(C)(CCC=C(C)C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.76
InChIKey:DVCPKQUXYGDNOP-UHFFFAOYSA-N
ID: 100022
SMILES:CC(CC(O)C1c2c(c3c(cc2O)CC(C=C(C)C)=O)OC(C)(C)C(CC2C(CC=C(C)C)C(C)=C1)(C3(c1ccccc1)O2)OO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 644.849
CB1 binding score: -15.405
InChIKey:IVZPOQKUFVWHRV-UHFFFAOYSA-N
ID: 100023
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C3=C(C)CCC3C1C1C(C)(OC(C)(C)C1)C2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -14.722
InChIKey:GDWBCILOBWOTJY-UHFFFAOYSA-N