ID: 85534
SMILES:C1C(C)=CC2C1C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.786
InChIKey:PKJRBGUKVWHDCR-UHFFFAOYSA-N
ID: 85535
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(cc(O)cc3O)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.766
InChIKey:GNBSKWGIRCMMKP-UHFFFAOYSA-N
ID: 85536
SMILES:C1C(C(C)(C)O)Oc2cc(CCCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -15.732
InChIKey:TYNDSHWKASZTRH-UHFFFAOYSA-N
ID: 85537
SMILES:O1C2c3c(c(C)ccc3C(C)C)CC2(C)C(C)C2Oc3c(c(O)cc(CCCCC)c3)C(C12)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -14.877
InChIKey:FISCMIOCSYDCHA-UHFFFAOYSA-N
ID: 85538
SMILES:COc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.823
InChIKey:GRLARWXSTOXAGR-UHFFFAOYSA-N
ID: 85539
SMILES:C(CCC(C)=CCc1c(O)nc2c(c1O)OC(C)(C)C1C2C=C(CO)CC1)(O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 417.546
CB1 binding score: -14.905
InChIKey:OLDPCGYRFSXYKH-UHFFFAOYSA-N
ID: 85540
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C(=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.971
InChIKey:ZBNFBEZCFKBAGI-UHFFFAOYSA-N
ID: 85541
SMILES:c1(C=O)c(O)cc(O)c(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -17.38
InChIKey:NNMCUDWDWIOUNG-UHFFFAOYSA-N
ID: 85542
SMILES:C(c1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -20.991
InChIKey:VUUOQMIMZAXLBK-UHFFFAOYSA-N
ID: 85543
SMILES:C1CC(=O)C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCC)c3)C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.636
InChIKey:KJIQRYACQVZBCN-UHFFFAOYSA-N
ID: 85544
SMILES:C1=C(C)C(CCC2(C)Oc3c(O)cc(CCc4ccc(OC)c(OC)c4)cc3O2)C(C)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -15.917
InChIKey:QMVYIBWJBWXWQE-UHFFFAOYSA-N
ID: 85545
SMILES:OC1C2C(C)=CC3C1C2(C)C(OC(CCC)C=C(CO)C)OC3=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -11.945
InChIKey:HWYLSLFUFFPDOO-UHFFFAOYSA-N
ID: 85546
SMILES:C1(CCC=C(C)CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.944
InChIKey:PXPDKUHGJIMKBA-UHFFFAOYSA-N
ID: 85547
SMILES:C(C(C(=O)c1c(O)cc(OCCCCCCC)c(C2C(C(C)=C)CCC(CO)=C2)c1O)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -15.897
InChIKey:GSKROBJGPLXLJG-UHFFFAOYSA-N
ID: 85548
SMILES:Oc1cc(CCCCC)cc2c1-c1c(c3c(cc1)C(C)(C)CCC3=O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.696
CB1 binding score: -15.882
InChIKey:BBUPHAZMZNTVEG-UHFFFAOYSA-N
ID: 85549
SMILES:c12c(c(OC)c(OC)c(CCCC)c1)OC(C)(C)C(OC(=O)C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -16.114
InChIKey:KOZLYEVIHIUSDO-UHFFFAOYSA-N
ID: 85550
SMILES:CCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -15.929
InChIKey:BZLOIYZUJWYCIO-UHFFFAOYSA-N
ID: 85551
SMILES:c1(OC)cc(CC=C(C)C)c(CC=C(C)C)cc1C1C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.6
CB1 binding score: -14.073
InChIKey:QIFDASAVXZJMES-UHFFFAOYSA-N
ID: 85552
SMILES:CC(=CCc1c(OC)cc(O)c2c1OC(C)(C)C1CC=C(C(O)=O)CC21)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -13.521
InChIKey:RBJDFGXFXLUKQU-UHFFFAOYSA-N
ID: 85553
SMILES:C1(C)CCC(C(C)CO)C1c1c(O)cc(CCC)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.419
CB1 binding score: -17.811
InChIKey:CWLWMRSOTYGVQU-UHFFFAOYSA-N
ID: 85554
SMILES:OC1C(C)=CC(c2c(O)cc(CCCCCO)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -18.055
InChIKey:CXHYHIGEUGGCNQ-UHFFFAOYSA-N