ID: 76042
SMILES:CC(CCC=C(C)C)=CCc1c(OC(C)=O)cc(C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -19.332
InChIKey:HAXRQCRJABYNJC-UHFFFAOYSA-N
ID: 76043
SMILES:C1C2(C)C(c3c(O)cc(O)c(CC=C(C)CCC=C(C)C)c3O2)CC(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.213
InChIKey:NKEILJRSKXACDY-UHFFFAOYSA-N
ID: 76044
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1CCC(C)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 76045
SMILES:O=C(c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(CCCCCC)cc1O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.445
CB1 binding score: -15.061
InChIKey:ZCBACFIVZUSUNR-UHFFFAOYSA-N
ID: 76046
SMILES:CC(C)C1C(c2c(O)cc(CCCC)cc2)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.459
CB1 binding score: -17.81
InChIKey:KVDBNLOKWYLSLD-UHFFFAOYSA-N
ID: 76047
SMILES:c12c(c(O)c3c(c1)OC(C)(C)C1C3C=C(C)CC1)CC(C)=CC2C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.529
CB1 binding score: -16.019
InChIKey:IGANOIOZASKTFX-UHFFFAOYSA-N
ID: 76048
SMILES:C1(C)(C)C23C(CC(=O)C2=CC=C(OC)C3C)c2c(cc(CCCCC)c(O)c2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -13.49
InChIKey:YVXCMWKIKQOPSE-UHFFFAOYSA-N
ID: 76049
SMILES:c1(O)cc(CCCCC)c2c(c1O)C1C(C(C)(OC)C)CCC(C)(CC1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -13.045
InChIKey:PGDCJUZIIZLLTO-UHFFFAOYSA-N
ID: 76050
SMILES:CC1(C)C(Cc2c(O)c(C(=O)O)c(CCCCC)cc2O)C=C(C)CC1CC(CCCCC)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.748
CB1 binding score: -13.796
InChIKey:FCCCSSXGSDFKKZ-UHFFFAOYSA-N
ID: 76051
SMILES:c1(CC=C(C)CCC=C(C)C)c2c(ccc1C)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)OC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.728
CB1 binding score: -17.09
InChIKey:SBWCCSDAOWJHOG-UHFFFAOYSA-N
ID: 76052
SMILES:c12c(c(C(CCCCC)O)cc(O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.998
InChIKey:POBMTCPRCPROCD-UHFFFAOYSA-N
ID: 76053
SMILES:C1C2(C)Oc3c(c(OC)cc(C(CC)OC)c3)CC2C(C(CCC)=O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -17.121
InChIKey:SAXXJGHYMUPIJB-UHFFFAOYSA-N
ID: 76054
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 76055
SMILES:c1(CC)ccc(O)c(Oc2cc(O)c(-c3c(CC=C(C)CCC=C(C)C)c(O)c4c(c3)OC(C)(C)C3CC(C(=C)C)CCC(C)=C43)oc2=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 680.882
CB1 binding score: -16.567
InChIKey:AZRLAZYDPIYTNL-UHFFFAOYSA-N
ID: 76056
SMILES:c1(O)cc(CC)cc(O)c1C=CC(C)(CCC=C(CCC=C(C)C)C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.67
InChIKey:YGAMNWVDMDUCMV-UHFFFAOYSA-N
ID: 76057
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 76058
SMILES:C(C(C(C)=C)O)CC(CO)=CCCC(=CCc1cc(O)c(C)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -17.148
InChIKey:KMJHKQGELVGNMH-UHFFFAOYSA-N
ID: 76059
SMILES:C1CC(C)C2(O)C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)C)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -17.509
InChIKey:SIXAKPQUNAURBB-UHFFFAOYSA-N
ID: 76060
SMILES:C1(O)C(C)C2=C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.415
InChIKey:CTEICILOSWTEDB-UHFFFAOYSA-N
ID: 76061
SMILES:COc1c(CCCCC)cc2c(c1O)C1CC(C)C=CC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.153
InChIKey:CSDVSPVZVOZQHW-UHFFFAOYSA-N
ID: 76062
SMILES:C1C2OC(C)(C)C(C(O)C(O)C(C)C2)C2=C(c3c1c(CCCCC)cc(O)c3)C(=O)C(CCC)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.676
CB1 binding score: -16.499
InChIKey:HNVMRSYJZDONKN-UHFFFAOYSA-N