ID: 31417
SMILES:CC(C)=CCCC1=CCC2c3c(O)cc(C)cc3OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.762
InChIKey:XRJXTTBNWGKBRI-UHFFFAOYSA-N
ID: 31418
SMILES:c1(C(CCC=C(C)C)C)c(O)c(OC(C)=O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -13.705
InChIKey:STGGZDPLFKWBRV-UHFFFAOYSA-N
ID: 31419
SMILES:O(C(c1c(CCCCC)cc2c(c1O)-c1c(ccc(C)c1)C(C)(C)O2)=O)Cc1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.571
CB1 binding score: -13.68
InChIKey:KJOWAEMXRASOBH-UHFFFAOYSA-N
ID: 31420
SMILES:c1c(CCCCC)cc2c(c1O)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: 31421
SMILES:CCCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 31422
SMILES:C12C(C)(C)Oc3c(c(OC(=O)C)cc(C(C(CCC=C(C(=O)O)C)C)C)c3)C1CCC(O)(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.622
CB1 binding score: -14.239
InChIKey:HBLZCGDXYGZLSJ-UHFFFAOYSA-N
ID: 31423
SMILES:C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3cc(C)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -19.059
InChIKey:JMYBKJCCJUGSCY-UHFFFAOYSA-N
ID: 31424
SMILES:C1(C)(C(O)=O)C2C(c3c(cc(CCCC)cc3O)O1)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -15.778
InChIKey:HDBGYLMPLLNYPQ-UHFFFAOYSA-N
ID: 31425
SMILES:C1=CC(C)CC2C(C)(C)Oc3cc(CCCCCO)cc(OC)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.335
InChIKey:GSMYHTKAEKMCQD-UHFFFAOYSA-N
ID: 31426
SMILES:C(C)CCCc1cc2c(c(O)c1)C1CC(C2(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -14.335
InChIKey:DQXOVPSSYGFAPN-UHFFFAOYSA-N
ID: 31427
SMILES:C1=CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3C2(CO1)C(C=O)C1(C)CCCC(C)(C)C1=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -14.657
InChIKey:YOCJFNIEFFSRIV-UHFFFAOYSA-N
ID: 31428
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1)(C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.257
InChIKey:KETCUGMUWAEENN-UHFFFAOYSA-N
ID: 31429
SMILES:C(CC=C)C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.778
InChIKey:WAKASZLKBQXSKM-UHFFFAOYSA-N
ID: 31430
SMILES:CC(C)=CCCC(CO)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -17.792
InChIKey:FELSFDDOTYDITC-UHFFFAOYSA-N
ID: 31431
SMILES:O=C(O)c1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.507
InChIKey:YKKHSYLGQXKVMO-UHFFFAOYSA-N
ID: 31432
SMILES:C12C(C)(CCC(C)C1(C)CC(O)=O)c1cc(CCCCC)cc(O)c1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -15.637
InChIKey:AIVAFPSNDIDNDO-UHFFFAOYSA-N
ID: 31433
SMILES:O(CCC)c1c2c(cc(C)c1)OC(C)(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -14.695
InChIKey:SSMDYOKVUOGJPY-UHFFFAOYSA-N
ID: 31434
SMILES:CC1C2C(c3c(c(C)cc(O)c3)OC2(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 246.35
CB1 binding score: -16.527
InChIKey:CDQVWHLDFZIZKA-UHFFFAOYSA-N
ID: 31435
SMILES:C1(C=C)(C)CCC(C(C)(O)C)C(c2c(O)cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.721
InChIKey:XIJDDAVSNCXNBZ-UHFFFAOYSA-N
ID: 31436
SMILES:c1(OCCC(CO)(O)CCCCCC)cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.628
CB1 binding score: -13.951
InChIKey:RBLMROSFTXMUAJ-UHFFFAOYSA-N
ID: 31437
SMILES:CC1CC2C(CC=C1C(O)=O)C(C)(C)Oc1c2cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -15.201
InChIKey:JHRMSABKIRZFCA-UHFFFAOYSA-N