ID: 104392
SMILES:c12c(cc(CCCCC)cc1O)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: 104393
SMILES:C1CC2(C)C(C(C)(C)C1=O)c1c(cc(CCCCC)cc1OC)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -13.542
InChIKey:CTJSAZNSJINOAU-UHFFFAOYSA-N
ID: 104394
SMILES:c1(C(C)C)cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C(=O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -14.801
InChIKey:NNWLBLQBWDCDLK-UHFFFAOYSA-N
ID: 104395
SMILES:C12CCC(C)=CCC(=O)C1(C)Oc1cc(CCC)cc(O)c12
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -13.333
InChIKey:VRALYQWMJRFFGX-UHFFFAOYSA-N
ID: 104396
SMILES:c12cc(C)cc(O)c1C1C(C(C)(C)O2)CCC2(C)OC2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.255
InChIKey:YWLONFJWCOSPFO-UHFFFAOYSA-N
ID: 104397
SMILES:CC(C(=O)O)C1c2cc(CCCC(C)C)c(C)cc2OC(C)(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -13.281
InChIKey:QVAYDFXSVYRLQF-UHFFFAOYSA-N
ID: 104398
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.485
InChIKey:UOLFVTXVWQDBHF-UHFFFAOYSA-N
ID: 104399
SMILES:C1(C(=C)C)C=CC2(C)Oc3cc(C)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -17.221
InChIKey:NQVQQAJZLPDFOQ-UHFFFAOYSA-N
ID: 104400
SMILES:C(c1c2c(cc(C)c1C)C(C)(C)Oc1cc(CCCCC)cc(O)c1C2=O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -17.123
InChIKey:ZPWXVBAGVRRKEZ-UHFFFAOYSA-N
ID: 104401
SMILES:C1(C(C)=C)C(c2c(C)cc(O)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.798
InChIKey:KDZOUSULXZNDJH-UHFFFAOYSA-N
ID: 104402
SMILES:c1(CCCCC)cc(O)c2c(c1O)C1C(CC(O)C(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.306
InChIKey:LJZTZNKFWSYSKI-UHFFFAOYSA-N
ID: 104403
SMILES:c1cc(O)c(CC=C(CCC=C(C)C)C)c(Oc2cc(CCCCC)cc(O)c2C=CC(CCC=C(C)C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 544.82
CB1 binding score: -14.24
InChIKey:KDLVAINJJBCQTN-UHFFFAOYSA-N
ID: 104404
SMILES:C1(C)=C2C3OC3C(C)CCCC(C)=CC2c2c1c(OC)cc(CCCCC)c2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -15.782
InChIKey:XXQFRJYTRLEFNC-UHFFFAOYSA-N
ID: 104405
SMILES:C1(C)(O)CCC(=O)C(C)(C)c2c(c(O)cc(CCCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -12.499
InChIKey:FESKUHLELPGFBT-UHFFFAOYSA-N
ID: 104406
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 104407
SMILES:Cc1cc(O)c2c(c1)OC(C)(C)C1C2=CC(C)C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 256.345
CB1 binding score: -18.594
InChIKey:OXHZTNMQYATYCW-UHFFFAOYSA-N
ID: 104408
SMILES:c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 104409
SMILES:c1(O)cc(C)c(C2C=C(C)CCC2C(CO)=C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.383
InChIKey:IWVLEDPHEMAPCP-UHFFFAOYSA-N
ID: 104410
SMILES:C12CC(=O)C(C)CC1c1c(O)c(=O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.729
InChIKey:BLWYPNGWJVYBIF-UHFFFAOYSA-N
ID: 104411
SMILES:c1(O)c(C(=O)OC)c(C2C(CCO)C(C)(CC=C(C)C)O2)c(O)cc1CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -15.916
InChIKey:BPNPSDPLCKESMW-UHFFFAOYSA-N
ID: 104412
SMILES:Oc1c(CC=C(C)C)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.085
InChIKey:DXSKUBRMLHRYFY-UHFFFAOYSA-N