ID: 34672
SMILES:o1c(CCCCC)cc2c1C1C(CC=C(C)C)C(C)=CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.186
InChIKey:AVDNSDIUIAHCBM-UHFFFAOYSA-N
ID: 34673
SMILES:CC1CCC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.571
InChIKey:YXYUFQADKYZXBS-UHFFFAOYSA-N
ID: 34674
SMILES:O=C(C(C)C)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.69
InChIKey:MLEZQRVWQXTRIW-UHFFFAOYSA-N
ID: 34675
SMILES:c1c(CCCCC)cc(O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 34676
SMILES:CC1(C)Oc2c(c(OC)cc(CCCCC)c2)-c2cc(C)c(O)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.445
InChIKey:AOLSJFGQLDFCOZ-UHFFFAOYSA-N
ID: 34677
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 34678
SMILES:C1CC(C(=O)OC)(C)C(c2c(O)cc(CCC)cc2O)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 320.429
CB1 binding score: -15.273
InChIKey:JNGTYXXIOJCSCE-UHFFFAOYSA-N
ID: 34679
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(OC)=O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.502
InChIKey:SZHQBBUREXLHOC-UHFFFAOYSA-N
ID: 34680
SMILES:C(C(C)CC)(=C)Cc1c(O)c(CC=C(C)C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -13.814
InChIKey:NGPKOJHZNKMDPR-UHFFFAOYSA-N
ID: 34681
SMILES:c1(OCC=C)c(CCCCC)cc2c(c1O)-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -14.844
InChIKey:ZWRXKKZIJLMARI-UHFFFAOYSA-N
ID: 34682
SMILES:Oc1c2c(cc(O)c1CC=C(C)CCC=C(C)CO)OC(C)(C)C1C2(C)Oc2cc(C(C)C)c(O)c(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.654
CB1 binding score: -16.608
InChIKey:SGBFWOFHNJLVLX-UHFFFAOYSA-N
ID: 34683
SMILES:c1(C2C(C(=C)C)C(c3cc(CCN(C)C)ccc3OC)C=C(C)CC2)cc(O)c(C(OC)=O)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 491.672
CB1 binding score: -12.449
InChIKey:SZMQHYPRPIYXTG-UHFFFAOYSA-N
ID: 34684
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 34685
SMILES:C(CCCCCCCCC(OCc1cc(OC)c(C2C=C(C)CCC2C(=C)C)cc1O)=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.694
CB1 binding score: -11.04
InChIKey:GTUZABBRFFNJNM-UHFFFAOYSA-N
ID: 34686
SMILES:CC1=CC(c2c(O)c(C(=O)O)cc(O)c2CC=C(C)CCC=C(C)C)C(C(=C)C=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.592
CB1 binding score: -12.282
InChIKey:BOGBOMIOOODWNS-UHFFFAOYSA-N
ID: 34687
SMILES:C1C(CO)C2C(=C1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1C=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -10.683
InChIKey:HVWCGDSWINMRFZ-UHFFFAOYSA-N
ID: 34688
SMILES:C(Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.748
InChIKey:KEBLMJFKEVAPFE-UHFFFAOYSA-N
ID: 34689
SMILES:C1C(C)(C)C=CCC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -13.649
InChIKey:NZMLSMVBRVNMDZ-UHFFFAOYSA-N
ID: 34690
SMILES:c1(CCCCCC)cc2c(c(OC)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -17.422
InChIKey:LABMCTIAZNCACZ-UHFFFAOYSA-N
ID: 34691
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1CCC(COC(=O)C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.334
InChIKey:CHKVNLMXPHANJK-UHFFFAOYSA-N
ID: 34692
SMILES:C12(C)Oc3c(c(O)cc(CCCCC)c3)C(C1C(C=C)=C)C(C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -11.461
InChIKey:CPELZZRRCZVFBI-UHFFFAOYSA-N