ID: 84379
SMILES:C1(C)C2(C)C3C(C)(C)Oc4c(c(O)cc(C)c4)C13CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.909
InChIKey:PTMMLZRQRONUDH-UHFFFAOYSA-N
ID: 84380
SMILES:c1c(CCc2ccc(O)c(O)c2)cc(O)c2c1OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.483
CB1 binding score: -16.574
InChIKey:HNZXRLSWKJBAPF-UHFFFAOYSA-N
ID: 84381
SMILES:C1C=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 84382
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.774
InChIKey:GKYGKYSJIDSYCQ-UHFFFAOYSA-N
ID: 84383
SMILES:C(C1(C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1-c1c(O)c(C=O)c(O)c(CC(O)C)c1O)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.698
CB1 binding score: -16.474
InChIKey:PHXPJRUEPVOQGD-UHFFFAOYSA-N
ID: 84384
SMILES:C1(OC(C)=O)CC(CCC=CC(=C)C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.132
InChIKey:LNRGUSFUKIIYEZ-UHFFFAOYSA-N
ID: 84385
SMILES:C1(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 84386
SMILES:C(C)c1cc(O)c2c(c1)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.813
InChIKey:YGKKCSPFVWBUFL-UHFFFAOYSA-N
ID: 84387
SMILES:C12C(C)(CCC(Br)C1(C)C)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 367.327
CB1 binding score: -17.404
InChIKey:ROBVTFMHKDHSRC-UHFFFAOYSA-N
ID: 84388
SMILES:c1(O)cc(CCCCC)c(CC=C(CCC=C(C)C)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17
InChIKey:CUQLLVPNTXISJP-UHFFFAOYSA-N
ID: 84389
SMILES:C1(C)(c2cc(O)ccc2O)C(C)(C)Oc2cc(CCCCC)c(C(=O)O)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.471
CB1 binding score: -12.769
InChIKey:UAEWJDLEOIIWHQ-UHFFFAOYSA-N
ID: 84390
SMILES:C(=C(C)C)CCC(C)=CCc1c(O)c(C(=O)O)c(CCCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -18.725
InChIKey:DZRJYADBMRYKMJ-UHFFFAOYSA-N
ID: 84391
SMILES:c1(O)cc(CCC(=O)O)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.348
InChIKey:JOYUYYKXKXTPDY-UHFFFAOYSA-N
ID: 84392
SMILES:O(C)c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 84393
SMILES:C1(=O)OC2C3C(C(C)(C)Oc4cc(CCCCCCCC)c(OC)cc41)CCC(C)(O)C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -15.101
InChIKey:RGWCSOZATSTPEQ-UHFFFAOYSA-N
ID: 84394
SMILES:C1(CCC)C2(C)C(C(=O)C3C1c1cc(O)c(C)cc1O3)C(C)(C)OC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.95
InChIKey:JIXSRLDRPUTUGA-UHFFFAOYSA-N
ID: 84395
SMILES:O=C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.502
InChIKey:BQKGPRINCDCBDJ-UHFFFAOYSA-N
ID: 84396
SMILES:O1c2cc(CCCCC)c(C3C(C(C)=C)CCC(C)=C3)c(O)c2C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -15.256
InChIKey:XAFXNEBBJYHHNW-UHFFFAOYSA-N
ID: 84397
SMILES:C1(CC(O)C(CCO)C)(C)Oc2cc(C)c(O)cc2C2=CCCC(C)(C)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.271
InChIKey:MZBYQYDERDIHHF-UHFFFAOYSA-N
ID: 84398
SMILES:O1c2cc(CCCCC)cc(OC3C(O)C(O)C(O)C(CO)O3)c2C2C(=C1C)CC1CC2C(=O)C1=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.588
CB1 binding score: -16.438
InChIKey:FCSYVYKFDUGWRA-UHFFFAOYSA-N
ID: 84399
SMILES:c1c(CCCCCCCc2ccccc2)c(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.603
CB1 binding score: -15.237
InChIKey:WLPHWBHRCFIOMU-UHFFFAOYSA-N