ID: 72493
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(Cc2cc(O)ccc2)c3O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.457
CB1 binding score: -14.931
InChIKey:MBCYZWIMYSHZOZ-UHFFFAOYSA-N
ID: 72494
SMILES:c1(CCCCCC)ccc(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.513
CB1 binding score: -17.812
InChIKey:WTUQJIWILXAALS-UHFFFAOYSA-N
ID: 72495
SMILES:O=C(c1c(O)c(C=O)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1)OCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.406
CB1 binding score: -17.16
InChIKey:CCHJGJBIHYBURC-UHFFFAOYSA-N
ID: 72496
SMILES:c1c(CC=C)c(O)c2c(c1)OC(C)(C)C1CC(O)C(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -12.715
InChIKey:STUIXFYSKKGZLW-UHFFFAOYSA-N
ID: 72497
SMILES:C1(=O)C(C)CC2C(C(C)(C)Oc3cc(C)ccc32)C1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Bisabolane sesquiterpenoids;Cannabinoids
MW: 258.361
CB1 binding score: -16.502
InChIKey:PSEYYNAVIQVGQB-UHFFFAOYSA-N
ID: 72498
SMILES:COc1c(Cl)c2c(c(O)c1Cl)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.25
CB1 binding score: -17.486
InChIKey:JHUAZXQTJQDWKN-UHFFFAOYSA-N
ID: 72499
SMILES:CC1(C)C2C=C(C)C(C)Oc3c2c(O)cc(CCCCC)c31
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: Not available
InChIKey:KZLNBYHYLOTEJJ-UHFFFAOYSA-N
ID: 72500
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)C1C2C(=O)C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.788
InChIKey:VOVQRWSUMZQYFL-UHFFFAOYSA-N
ID: 72501
SMILES:C(c1ccc2c(c1)-c1c(cc(CCCCC)cc1O)OC2(C)C)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.518
CB1 binding score: -16.075
InChIKey:HZDZUNVYGNAZBV-UHFFFAOYSA-N
ID: 72502
SMILES:C12(c3c(cc(CCCCC)cc3O)O1)C(C)(C)C1C3C4(C)C(c5c(cccc5OC)CC3)C4C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.642
CB1 binding score: -15.414
InChIKey:RHEYONOKXQFSMN-UHFFFAOYSA-N
ID: 72503
SMILES:C1(=O)CCC2(c3c(O)cc(CCC)cc3OC2(C)C)C1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -16.376
InChIKey:SMBAMNZGWDRQHL-UHFFFAOYSA-N
ID: 72504
SMILES:c12c(c(O)cc(CCCCCC)c1)-c1c(ccc(C)c1O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.769
InChIKey:SXUFBRSWCSUSJZ-UHFFFAOYSA-N
ID: 72505
SMILES:c1c(OC)c(CCCC)cc2c1OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.542
InChIKey:WMPBMNDPTBIRKB-UHFFFAOYSA-N
ID: 72506
SMILES:C12C(C)(Oc3c(c(O)cc(CCCCC)c3)C1)C1OC(C=C(C)C)CC3(C)C1C(C(=O)C2C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -17.442
InChIKey:YJZUQBRROMICAX-UHFFFAOYSA-N
ID: 72507
SMILES:C(CC)CCCc1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.18
InChIKey:YIGLMNZSUQWKBY-UHFFFAOYSA-N
ID: 72508
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 72509
SMILES:c1(OCC)c(CC=C(CCC=C(C)C)C)c(O)cc(CC(OC(=O)C)C(=O)OCC(C)=CC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -18.886
InChIKey:PCNFIBZGLGTIBX-UHFFFAOYSA-N
ID: 72510
SMILES:C(c1c(O)c(C2C=C(C)CCC2C(C)(O)C)c(O)cc1)CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.081
InChIKey:UYSNLYSLUBJLJQ-UHFFFAOYSA-N
ID: 72511
SMILES:C(C)(Oc1c(CCCCC)cc(O)c2c1OC(C)(CCC=C(C)C)C(O)C2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -18.735
InChIKey:CZAQEMXPOJUELP-UHFFFAOYSA-N
ID: 72512
SMILES:CC(C(=O)c1c2c(c(O)c(C)c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.334
InChIKey:NLXMWQUYVMFTGY-UHFFFAOYSA-N
ID: 72513
SMILES:C(CC(=CCCC1=CCC2c3c(c4c(cco4)c(C)c3OC)OC(C)(C)C2C1)C)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -13.749
InChIKey:JFTQGJMZWFJHIX-UHFFFAOYSA-N