ID: 90784
SMILES:CC12CCCC(C)=C1Cc1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.687
InChIKey:GKMAZTZBHXIQOW-UHFFFAOYSA-N
ID: 90785
SMILES:C1CC2C(C3C(C)C2(C)c2c(cc(CCCCC)cc2O)O3)OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.369
InChIKey:DENXILHSOCJTHX-UHFFFAOYSA-N
ID: 90786
SMILES:C(CCc1cc2c(c(OC)c1)C1CC(C)=CCC1C(C)(C)O2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -16.438
InChIKey:KAGSCCOZGDGZCE-UHFFFAOYSA-N
ID: 90787
SMILES:O(C)c1cc2c(c(O)c1C=O)C(=O)c1c(c3c(cc1)OC(C)(C)C1C3C=C(C)CC1)OC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.488
CB1 binding score: -14.553
InChIKey:JGDNIUUUGQLQBB-UHFFFAOYSA-N
ID: 90788
SMILES:O1c2cc(CCC)cc(O)c2C2CC(C(O)=O)=CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.482
InChIKey:LUVSRWROAAHJJR-UHFFFAOYSA-N
ID: 90789
SMILES:C(c1cc(CC=C(C)CCC=C(C)C)c(O)cc1O)CCC
Pathway: Polyketides
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 302.458
CB1 binding score: -16.664
InChIKey:ICEHRRCMNXEDLK-UHFFFAOYSA-N
ID: 90790
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 220.312
CB1 binding score: -17.272
InChIKey:BUZRGRBWWXVNTD-UHFFFAOYSA-N
ID: 90791
SMILES:Oc1cc(CCCCC)c(C2C=C(C)CC(O)C2C(C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -15.409
InChIKey:QBDSEWVPXVBMRE-UHFFFAOYSA-N
ID: 90792
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(=C)CC1)=C(C=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -14.954
InChIKey:WRVYQEDSMCVHEP-UHFFFAOYSA-N
ID: 90793
SMILES:c1(O)cc(CCCCC)cc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.779
InChIKey:ZSDJPGLYWNHCIW-UHFFFAOYSA-N
ID: 90794
SMILES:Oc1c(C=O)c2c(c(O)c1CCCCC)C1C(C(C)(C)O2)CCO1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -15.994
InChIKey:MCJCBMKUHVHXIW-UHFFFAOYSA-N
ID: 90795
SMILES:c1(O)c2c(cc(CCCCC)c1O)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.502
InChIKey:XNOKMALNINWFPI-UHFFFAOYSA-N
ID: 90796
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)c(O)c(C(OC)=O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 374.521
CB1 binding score: -19.567
InChIKey:RSOBBJCWWQRAAM-UHFFFAOYSA-N
ID: 90797
SMILES:CC(=CCc1c(OC(=O)C)c(CCCCC)cc(OC(=O)CCl)c1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 451.003
CB1 binding score: -15.568
InChIKey:VNISUBZREPYTFH-UHFFFAOYSA-N
ID: 90798
SMILES:Cc1c2c(ccc1O)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.218
InChIKey:PPQGSYXZPWMEOQ-UHFFFAOYSA-N
ID: 90799
SMILES:C(C(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C)CC=C(CO)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -18.124
InChIKey:GUMRKMJJLHFLMN-UHFFFAOYSA-N
ID: 90800
SMILES:COc1c(O)c(CC=C(C)CC=CC(C)C)c(O)c2c1C1C(C(C)=CCC=C1C)OC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -15.929
InChIKey:OZZDHBRIANERRO-UHFFFAOYSA-N
ID: 90801
SMILES:O1C2(C)CCC(C(C)(C)O)C1c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.041
InChIKey:IGTYCMHCIOXXCY-UHFFFAOYSA-N
ID: 90802
SMILES:C1C(=CCCC(C)=O)C(C)C(c2c(O)cc(CCCCC)c(C(OC)=O)c2O)C(C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -15.829
InChIKey:LKBYZSXGEHKATE-UHFFFAOYSA-N
ID: 90803
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(C)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 90804
SMILES:c1(O)c2c(cc(O)c1C(=O)CC(C)C)OC(C)(C)C1CCC(C)(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -17.3
InChIKey:QWYHZZVRCMCVPY-UHFFFAOYSA-N