ID: 9997
SMILES:C1(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 9998
SMILES:C12C(O)CC(C)(C(O)C1)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -14.894
InChIKey:DXDFBCOMTMCECR-UHFFFAOYSA-N
ID: 9999
SMILES:C1c2c(O)c(C(O)=O)c(CCCCC)cc2OC(C(C)(O)C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.401
CB1 binding score: -15.612
InChIKey:XJNWDKMPVZGNIV-UHFFFAOYSA-N
ID: 10000
SMILES:c12c(c(OC)cc(OC)c1Cl)OC(CCC1(C)CCC(O)C(C)(C)O1)(C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.938
CB1 binding score: -15.146
InChIKey:DJXYXKDXYAGQAJ-UHFFFAOYSA-N
ID: 10001
SMILES:C(CCCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(OC2OC(CO)C(O)C(O)C2O)c1)C=Cc1ccc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 596.761
CB1 binding score: -16.474
InChIKey:KTQYNXUQRRFVCC-UHFFFAOYSA-N
ID: 10002
SMILES:C(CCCC)c1cc(O)c(CC2C(O)(C)CCCC2(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.5
CB1 binding score: -18.194
InChIKey:MQMVZHGCNWQNJQ-UHFFFAOYSA-N
ID: 10003
SMILES:C(CC(=CCc1c(O)c(C)cc(OC)c1)C)C=C(C)C=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.271
InChIKey:LTUYWLMIHKGWJM-UHFFFAOYSA-N
ID: 10004
SMILES:C1C(C(=C)C)C(c2c(O)ccc(OC)c2)C=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.401
InChIKey:YRXZLRWBEYIBHE-UHFFFAOYSA-N
ID: 10005
SMILES:C1OC(C)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.527
InChIKey:PNPJRIUGZASPKP-UHFFFAOYSA-N
ID: 10006
SMILES:C(C)(CCCc1cc2c(c(O)c1)C1C(C(O)(C)C(O)CC1C(C)=C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.16
InChIKey:BVJSJECKAVKJIA-UHFFFAOYSA-N
ID: 10007
SMILES:C(CCC)c1cc(O)c2c(c1)OC(C)C1C2=C(C)CCC1C(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.012
InChIKey:IPRAUUYFVMHBBQ-UHFFFAOYSA-N
ID: 10008
SMILES:Oc1c(O)c(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -17.532
InChIKey:LLRWEJCFJKNAIF-UHFFFAOYSA-N
ID: 10009
SMILES:C(CCC)c1cc2c(cc1)C1=C(C(C)(C)O2)CCC(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -16.502
InChIKey:GDLSXRNVBGLEFW-UHFFFAOYSA-N
ID: 10010
SMILES:C1(c2ccc(O)cc2)Oc2cc(CCCCC)cc(OC)c2C2C(C(CCC=C(C)C)(C)O)CCC(O)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 536.753
CB1 binding score: -13.702
InChIKey:SZSKDTLKVMSACO-UHFFFAOYSA-N
ID: 10011
SMILES:C(CCCc1ccc(C2CC(C)CCC2C(C)C)cc1)C(C)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.584
CB1 binding score: -16.381
InChIKey:SSEOGAGVWWBQFJ-UHFFFAOYSA-N
ID: 10012
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C(=O)O)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 10013
SMILES:c12c(cc(CCC)cc1O)OC(C)(C)C1=C2CC(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.792
InChIKey:IEOYHNWUNCMPAY-UHFFFAOYSA-N
ID: 10014
SMILES:C12C(c3c(O)cc(CCCCC)cc3O1)C1C(C)(CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.707
InChIKey:OHRLDEWVGCDFSH-UHFFFAOYSA-N
ID: 10015
SMILES:C1(C(C)=C)=CC(OC)C2(C)C(O)C1c1cc(CCCCC)cc(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -11.562
InChIKey:GTFFOGDHTQLAKK-UHFFFAOYSA-N
ID: 10016
SMILES:c1(C(O)C)cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.374
InChIKey:BSYNQTQGKALHJB-UHFFFAOYSA-N
ID: 10017
SMILES:c1(CCCC)c(C)c(O)c2c(c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -14.769
InChIKey:PNVYEEKDVDIYKD-UHFFFAOYSA-N