ID: 88999
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.532
InChIKey:VQHMFOOASCCVRX-UHFFFAOYSA-N
ID: 89000
SMILES:c1(O)cc(CCC)cc2c1C1=C(C(C)(C)O2)CCC(O)(C)C1CCC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.805
InChIKey:HYNANPUAMIBNLB-UHFFFAOYSA-N
ID: 89001
SMILES:C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.032
InChIKey:NJSZRBFBYZMAGU-UHFFFAOYSA-N
ID: 89002
SMILES:CC1=CC2C(C(C)(C)Oc3cc(CCCCC)c(C(=O)OC4C(CO)OC(O)C(O)C4O)cc32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.593
CB1 binding score: -14.936
InChIKey:VMDKRVFRBKSSNT-UHFFFAOYSA-N
ID: 89003
SMILES:C1C(C(C)C)C(c2c(O)cc(CCC)cc2O)CC(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -19.319
InChIKey:VNFNICPIQJPBJY-UHFFFAOYSA-N
ID: 89004
SMILES:Oc1cc(CCCCC)cc2c1C1C(CC(=O)C(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 89005
SMILES:C1C(CO)(CO)C2C(C)(CC1O)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -12.662
InChIKey:UHTUETVZMHBZAP-UHFFFAOYSA-N
ID: 89006
SMILES:COc1c(O)ccc2c1OC(C)(C)C1CC=C(CO)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: Not available
InChIKey:ZPKUJCNTSDTVBQ-UHFFFAOYSA-N
ID: 89007
SMILES:CC1=CCC(=C(C)C)C(CO)C1c1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -12.865
InChIKey:KIOIESLXBUFUNW-UHFFFAOYSA-N
ID: 89008
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 89009
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(CCC=C(C)C)C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.852
InChIKey:SFUFRHMPPGZMCA-UHFFFAOYSA-N
ID: 89010
SMILES:Cc1ccc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 89011
SMILES:C(CCCc1cc2c(c(O)c1)OC(C)(C)C1CC=C(C(=O)O)CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.232
InChIKey:VOSIUROXKQMZTJ-UHFFFAOYSA-N
ID: 89012
SMILES:C1(=O)OC2(CC=C(CCC=C(C)C)C=O)Oc3c(c(O)cc(CCCCC)c3)C(O)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.552
CB1 binding score: -14.848
InChIKey:KMNSLDLDCSXEHK-UHFFFAOYSA-N
ID: 89013
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(O)c(CC=C(C)C)c(CC=C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.573
CB1 binding score: -16.74
InChIKey:CFTMGPVOLBBQJG-UHFFFAOYSA-N
ID: 89014
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 89015
SMILES:O(C(c1c(O)c2c(cc1CCCCC)OC(C=C(C)C)C2)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -14.554
InChIKey:JNQTUMWCCCYZSL-UHFFFAOYSA-N
ID: 89016
SMILES:c12c(c(CCCCC)cc3c1OC1(C)CCC4(O)C(C)(C)C1C4)C(O)(C(=O)C3)C=CC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -15.775
InChIKey:ATCHPKPEAMRBIU-UHFFFAOYSA-N
ID: 89017
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2O)C2C=C(COC(C)=O)CCC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -12.804
InChIKey:LAUIOKPZOSUUDT-UHFFFAOYSA-N
ID: 89018
SMILES:c1(C)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -16.752
InChIKey:ZXXLPLVPOBSLTA-UHFFFAOYSA-N
ID: 89019
SMILES:CC(C)=CCC1Oc2cc(CCCCC)cc(O)c2C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.125
InChIKey:KHFLZTJSCNZYRP-UHFFFAOYSA-N