ID: 133456
SMILES:Oc1c(O)c(C2C=C(C)CCC2C(C)CC=CC(C)=C)c(O)cc1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.015
InChIKey:YXPMOYSIXFLUMO-UHFFFAOYSA-N
ID: 133457
SMILES:C(CCO)c1c(=O)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.043
InChIKey:LCXPOCSEFAEMTK-UHFFFAOYSA-N
ID: 133458
SMILES:C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 133459
SMILES:CC12CCC(C(C)C)C3C1C(C)(Oc1cc(CCCCC)cc(O)c12)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -12.947
InChIKey:HTXLYGKESSZJCE-UHFFFAOYSA-N
ID: 133460
SMILES:CC1(C)C2CCC(O)(C)CC2c2c(cc(CCCC(O)CO)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -15.681
InChIKey:URKYENYAFLQNAE-UHFFFAOYSA-N
ID: 133461
SMILES:c12cc(CCCC(C)=O)cc(OC)c1CC(O)C(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -13.522
InChIKey:SCSVTPZOFHHXSN-UHFFFAOYSA-N
ID: 133462
SMILES:C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCCCO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.61
InChIKey:CTXCUMSZNOOXIY-UHFFFAOYSA-N
ID: 133463
SMILES:CC(C)(O)C1CCC(C)(OO)C2Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -17.186
InChIKey:UGEPQRPAOXEEFU-UHFFFAOYSA-N
ID: 133464
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 133465
SMILES:O=C1OCC(=CC=CC(C)C)C1CCC1(C)Cc2c(O)cc(CCC)cc2O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -15.98
InChIKey:HUMPTZISXYVWDA-UHFFFAOYSA-N
ID: 133466
SMILES:CC(C)C(=C)CC=C(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.271
InChIKey:FYIIQJLTHURCPH-UHFFFAOYSA-N
ID: 133467
SMILES:C(=C)(C1CC(C)=CC1c1c(O)cc(CCCCC)cc1OC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.737
InChIKey:DHLAZHHGMIOEPV-UHFFFAOYSA-N
ID: 133468
SMILES:CC1(C)Oc2cc(C)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -20.957
InChIKey:WIDIPARNVYRVNW-UHFFFAOYSA-N
ID: 133469
SMILES:C1OC2C(=O)c3c(O)cc(CCCCC)cc3OC2(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -16.901
InChIKey:JMPXXCWBNNUIOP-UHFFFAOYSA-N
ID: 133470
SMILES:C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 133471
SMILES:C1C(C)(C)Oc2cc(CCCCC)cc(OC)c2C1CC1(C)C(C)CCC2(C)C1CCC=C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.75
CB1 binding score: -12.787
InChIKey:RTEGRBSREQZENQ-UHFFFAOYSA-N
ID: 133472
SMILES:c1(C(C(C)C)CCC2(C)C3(C)CC=CC2C(=O)C3)c(O)cc(C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.068
InChIKey:WMCPXMHEOIYQAU-UHFFFAOYSA-N
ID: 133473
SMILES:C(OC)(c1c(O)c2c(cc1COCCCCCC)OC(C)(C)C1C2C=C(C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -15.597
InChIKey:YPUHXAXWFVUYNF-UHFFFAOYSA-N
ID: 133474
SMILES:O1c2ccc(C)cc2C2C(CCC2(C)C(O)C=CC(C)=O)C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.692
InChIKey:PQGMLBDTKQDDCD-UHFFFAOYSA-N
ID: 133475
SMILES:c1(C)cc2c(cc1)C(C)(C)Oc1c-2cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.438
CB1 binding score: -16.502
InChIKey:QWCMGHBKJWEFFY-UHFFFAOYSA-N
ID: 133476
SMILES:Oc1cc(CCc2cc(O)c(C3C=C(C)CCC3C(C)=C)c(O)c2)cc(O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.483
CB1 binding score: -15.732
InChIKey:UUVNCLSIOHUEQP-UHFFFAOYSA-N