ID: 108487
SMILES:C1=C(C(OC)=O)C2c3c(cc(CCCCC)c(C(=O)OC)c3O)OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -14.334
InChIKey:GRIHSKBUAFSOJN-UHFFFAOYSA-N
ID: 108488
SMILES:c1(-c2c(C)ccc3cc(CCCCC)cc(O)c23)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.653
CB1 binding score: -8.892
InChIKey:VEXZIMQZQYPAMD-UHFFFAOYSA-N
ID: 108489
SMILES:C1CC2(C)CCC(C(=C)C)C2c2c(O)cc(CCCCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -17.596
InChIKey:RWFIRVYASWVANS-UHFFFAOYSA-N
ID: 108490
SMILES:O=C(c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1OC)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.514
InChIKey:ILNFEVHXURUCOE-UHFFFAOYSA-N
ID: 108491
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C(=C)C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.824
InChIKey:MBQHJWZVSSJXIP-UHFFFAOYSA-N
ID: 108492
SMILES:O(C)C1OCC2(C)Oc3c(c(O)cc(C)c3)C3CC(=C21)C(OC)C=C3C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -17.437
InChIKey:JYSFOLKZTYWVHG-UHFFFAOYSA-N
ID: 108493
SMILES:C(C)C(c1cc2c(cc1OC)CCC(C)(CC1C=C(C)CCC1C(C)=C)O2)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.281
InChIKey:PMXHRSALTNFHSN-UHFFFAOYSA-N
ID: 108494
SMILES:c1(OC2C(O)C(O)C(O)C(CO)O2)cc2c(cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)(CC)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.62
CB1 binding score: -15.498
InChIKey:AECMMSDRZYFINL-UHFFFAOYSA-N
ID: 108495
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CC=C(C)CCC1C2CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.087
InChIKey:CLAGWZLJBXXFNO-UHFFFAOYSA-N
ID: 108496
SMILES:C(C=O)CC(C)=CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -14.85
InChIKey:GMTAWVQHMQOIES-UHFFFAOYSA-N
ID: 108497
SMILES:C1C(O)C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC1(C)C=CC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -14.746
InChIKey:QCXIWZSPWKIDLY-UHFFFAOYSA-N
ID: 108498
SMILES:C1C(CC2(C)CCC3C(C)(C)C2C3)Oc2c(c(O)cc(CCC)c2)C1CC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -15.735
InChIKey:DHLVYIWCNZMTDQ-UHFFFAOYSA-N
ID: 108499
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -20.128
InChIKey:YOJPFISTURZHJT-UHFFFAOYSA-N
ID: 108500
SMILES:c12c(cc(CCCCC)cc1O)C(=C)C1C(C2)C(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 300.442
CB1 binding score: -16.877
InChIKey:QAJYIURNILZIEY-UHFFFAOYSA-N
ID: 108501
SMILES:O=C(CC(C)C)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.055
InChIKey:OAEMYZLSFWZUEY-UHFFFAOYSA-N
ID: 108502
SMILES:C=C(C1CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C1C(Br)C2)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 423.391
CB1 binding score: -12.996
InChIKey:ATDMSACEXMALRZ-UHFFFAOYSA-N
ID: 108503
SMILES:Oc1cc(CCCCC)cc2c1C1C(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: 108504
SMILES:c1(C2C(C(C)C)CCC(C)=C2)ccc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 108505
SMILES:C(CC)CCc1c(OC)c2c(c(OC)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.405
InChIKey:OHTCFSULJUZPAW-UHFFFAOYSA-N
ID: 108506
SMILES:C1(C)=C2C(CC(C)(CO)C2)C(=O)c2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.248
InChIKey:GMQLXSPBGKISLM-UHFFFAOYSA-N
ID: 108507
SMILES:c12c(ccc(O)c1)C(=O)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -15.953
InChIKey:QGDJWHZMIALXPT-UHFFFAOYSA-N