ID: 126001
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 126002
SMILES:C(CCC=C(C)C)(C)=CCc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 126003
SMILES:O=C(O)C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.545
InChIKey:FDMTTXHQTVBXFR-UHFFFAOYSA-N
ID: 126004
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C=O)c1C=CC(C)(O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -14.07
InChIKey:IVRORYMZPKJRKZ-UHFFFAOYSA-N
ID: 126005
SMILES:C1(C)=CCC(Br)C(C)(C)C12Oc1c(c(O)cc(C)c1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -16.115
InChIKey:FSEXJFWRUIZXMA-UHFFFAOYSA-N
ID: 126006
SMILES:CCCc1cc(O)c(C2C=C(C)CCC2C(O)(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.43
CB1 binding score: -19.168
InChIKey:BMEOABJGGIYLGA-UHFFFAOYSA-N
ID: 126007
SMILES:C1C(C(=C)C)C(c2c(OC)cc(CCCC(O)CC)cc2)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.552
InChIKey:KAJIOZJNQHCOQT-UHFFFAOYSA-N
ID: 126008
SMILES:C1C(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -19.319
InChIKey:VNFNICPIQJPBJY-UHFFFAOYSA-N
ID: 126009
SMILES:C(c1c2c(cc(Oc3cc(CCCCCC)cc(O)c3)c1)C1C(CC=C(C)C1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -16.778
InChIKey:NJVDNQQDSHXITJ-UHFFFAOYSA-N
ID: 126010
SMILES:C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 126011
SMILES:Oc1c(C2C=C(C)CCC2C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 126012
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 126013
SMILES:O(C)c1c(CCCCC)cc2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.812
InChIKey:MJZAAJNTCWKRLL-UHFFFAOYSA-N
ID: 126014
SMILES:C1(C)=CC(c2c(O)c(O)c(OC)cc2CCCC)OC(C)(C)C(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -14.712
InChIKey:KSCVWGMMYSVYHS-UHFFFAOYSA-N
ID: 126015
SMILES:CC(=O)OC(c1c2c(c(OC)c(OC)c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.209
InChIKey:WYJXGXRXPWWQRX-UHFFFAOYSA-N
ID: 126016
SMILES:C1CC2(C)Oc3cc(CCCCC)cc(O)c3CC2C2=C1C(=O)CC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -15.149
InChIKey:VFLHMHCRBRLJLM-UHFFFAOYSA-N
ID: 126017
SMILES:C12=C(OC(C)(C)C3CCC(CO)=CC13)C(=O)C(C)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -14.333
InChIKey:SMIUASFYJNDSII-UHFFFAOYSA-N
ID: 126018
SMILES:c12c(c(O)cc(C)c1Br)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -16.909
InChIKey:RYMLHYMKISHZSH-UHFFFAOYSA-N
ID: 126019
SMILES:Oc1c2c(cc(CCC=CC)c1)OC(C)(C)C1C2CC(CO)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.446
InChIKey:FQLWAZXXKZWLNW-UHFFFAOYSA-N
ID: 126020
SMILES:C(CCc1cc(O)c2c(c1)OC1(C)CCC(C(O)(C)C)C2CC1)CCCCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.754
CB1 binding score: -14.194
InChIKey:QJUVICAQBGDJLA-UHFFFAOYSA-N
ID: 126021
SMILES:CC12CC(C)(C)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -15.628
InChIKey:TURSBACLYBCPOF-UHFFFAOYSA-N