ID: 97000
SMILES:C1(c2c(O)cc(CCCCC)cc2O)=C(C)c2c(c3c(cc2O)OC(C)(C)C=C3)C(C)(C)C1CC=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.668
CB1 binding score: -16.015
InChIKey:KQTJYWLIVBMJRM-UHFFFAOYSA-N
ID: 97001
SMILES:CC(C(C12CC1C(C)(C)Oc1c2c(O)c(Br)c(C)c1)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 353.256
CB1 binding score: -15.601
InChIKey:KZVNZJHQIFHFBM-UHFFFAOYSA-N
ID: 97002
SMILES:CC1(C)CCC(O)C2(C)Oc3c(c(O)cc(CCCCC)c3O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -14.552
InChIKey:CIBBQRYJMXPINB-UHFFFAOYSA-N
ID: 97003
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(O)CCC1C)CC(C(C)(O)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -16.281
InChIKey:GTNAQONZATUDTJ-UHFFFAOYSA-N
ID: 97004
SMILES:CC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 97005
SMILES:C1C(C(C(OC)=O)C)C(c2c(O)cc(CCCCC)cc2)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -12.472
InChIKey:VYHPNFCGINVICQ-UHFFFAOYSA-N
ID: 97006
SMILES:c1(CCC(=O)C)cc2c(c(O)c1)C1CC(C)(CCC1C(=C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.801
InChIKey:VKFVQUQDXYQXFO-UHFFFAOYSA-N
ID: 97007
SMILES:O=C(O)c1c(CC=C(C)C)cc(C2Oc3c(c4c(c(C(=O)C(C)CC)c3O)OC(C)(C)C3C4C=C(C)CC3)c(O)c2)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 616.751
CB1 binding score: -15.379
InChIKey:NJOWFBNELCYPGN-UHFFFAOYSA-N
ID: 97008
SMILES:C1CC2(C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C2O)C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -13.665
InChIKey:LSKVFLKOLFQHFY-UHFFFAOYSA-N
ID: 97009
SMILES:C(C)CCc1cc2c(c(O)c1)C1CC(C)(CCC1C(C)=C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.334
InChIKey:MNUBYOPTBHHAIM-UHFFFAOYSA-N
ID: 97010
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 97011
SMILES:C(=CCc1c(O)cc(CCC)cc1O)(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 97012
SMILES:Oc1ccc(O)c2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.145
InChIKey:YJSPCCRFFZMYHY-UHFFFAOYSA-N
ID: 97013
SMILES:C(Cc1cc2c(c(O)c1)C1C(CCC(=C)C1)C(C)(C)O2)CC(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.36
InChIKey:UEDIIHHBXPOWQT-UHFFFAOYSA-N
ID: 97014
SMILES:CC1(C)C2CC(C(C)=CC2)Cc2c(O)cc(CCCCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -15.159
InChIKey:AGLYFUXIMTUSIY-UHFFFAOYSA-N
ID: 97015
SMILES:C1(C)(C)C2OC2C(OC(=O)C)C(C)=C1CCC(C)=CCc1c(O)c(C)cc(OC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -14.14
InChIKey:XEESLHYZUODJPJ-UHFFFAOYSA-N
ID: 97016
SMILES:c12c(c(O)cc(CCCCC)c1)-c1cc(C)ccc1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 97017
SMILES:OC1(C)C2(CC(C(C)C)=CC1)Oc1c(c(O)c(C(O)=O)c(CCCCCC)c1)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -14.154
InChIKey:PFAUMPKLEVSKOY-UHFFFAOYSA-N
ID: 97018
SMILES:O1C(C)(CCCC(Cc2cc(O)cc(C)c2O)C)CCC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -12.866
InChIKey:IFMQOKQLATYWDI-UHFFFAOYSA-N
ID: 97019
SMILES:C1c2c(cc(CCCCC)cc2O)OC(C)(C)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.771
InChIKey:VGSHJKOXKGYENI-UHFFFAOYSA-N
ID: 97020
SMILES:O(c1c2c(c3c(c(=O)c1)C(=O)C(O)C(CCCC)(C=CC(C)(C)O)O3)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 512.643
CB1 binding score: -15.768
InChIKey:YHZCYDWGVFDSJY-UHFFFAOYSA-N