Browse

Molecule Identifiers
Molecular Properties

ID: 121108

SMILES:
C(C=CC1(C)OC(=O)CC1O)(C)=CCc1cc(OC)cc(C)c1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -17.833

InChIKey:
VXKYYIZYQQPUDU-UHFFFAOYSA-N

ID: 121109

SMILES:
C1C2C(c3c(O)cc(C)cc3OC2(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: -17.122

InChIKey:
FDDIMPOSTSOHPK-UHFFFAOYSA-N

ID: 121110

SMILES:
Oc1cc(OCC=C(CCC=C(C)C)C)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -13.154

InChIKey:
BUMBOAWKYTYNER-UHFFFAOYSA-N

ID: 121111

SMILES:
c12cc(CCCCC)cc(O)c1C1CC(C)=CCC1(O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.016

InChIKey:
DYJVRFKTUHQJIG-UHFFFAOYSA-N

ID: 121112

SMILES:
C1(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 121113

SMILES:
C(CCCc1cc2c(c(O)c1)C1=C(CC(C)(C)O2)C(=O)C2=C1C1(C)C(C2)C(C)(C)CCC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -15.149

InChIKey:
JQMVCZNHFFOMLT-UHFFFAOYSA-N

ID: 121114

SMILES:
c12c(cc(O)cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.133

InChIKey:
NWNXONBQZMRACD-UHFFFAOYSA-N

ID: 121115

SMILES:
O1C(=O)C2(C(O)(CC)C(=C)CC2)C12c1c(cc(CCCCC)cc1O)OC2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.444

CB1 binding score: -17.659

InChIKey:
SBHBALUONURQPE-UHFFFAOYSA-N

ID: 121116

SMILES:
C12C(CCC(C)=C1)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 121117

SMILES:
Oc1cc(CCCC(=O)O)cc2c1CC(O)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.32

CB1 binding score: -15.196

InChIKey:
DMNUZEVFDXQIQZ-UHFFFAOYSA-N

ID: 121118

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC1(C)C(C(C(CCC=C(C)C)C)CC1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -12.809

InChIKey:
FBCOYLQSFWDODI-UHFFFAOYSA-N

ID: 121119

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C3C(OC(C)(C)C(=C)C3=O)CC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.47

InChIKey:
ZOGADKHBTRPKEG-UHFFFAOYSA-N

ID: 121120

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 121121

SMILES:
c1(O)c(C2C=C(C)CCC2C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 121122

SMILES:
C(=Cc1cc2c(cc1OC)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.942

InChIKey:
KAQKYVJJVAONTL-UHFFFAOYSA-N

ID: 121123

SMILES:
C(C(C)C)CC1C(=C)CCCC1(C)Cc1c(O)c(C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -13.814

InChIKey:
UVYAKNUKPHTQMD-UHFFFAOYSA-N

ID: 121124

SMILES:
C1(C)(C)Oc2cc(CCCCC)c(Cc3c(O)cc(CC=C)cc3O)c(O)c2CC1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.673

CB1 binding score: -13.964

InChIKey:
JOEPPLIOWCTXIB-UHFFFAOYSA-N

ID: 121125

SMILES:
C1C2Oc3c(c(O)c(C(=O)O)c(CCCCC)c3)C2C2=C(C)CCCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -13.99

InChIKey:
WKSGREOGCXQKIC-UHFFFAOYSA-N

ID: 121126

SMILES:
c1c(C(C)C)ccc(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -18.086

InChIKey:
OPSHXUAXEWBCRH-UHFFFAOYSA-N

ID: 121127

SMILES:
O=C(O)CCc1c2c(ccc1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.36

InChIKey:
BLEHGVCEHNWCME-UHFFFAOYSA-N

ID: 121128

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.821

InChIKey:
CUWJKLPAOPPJHN-UHFFFAOYSA-N

◀5765576657675768576957705771▶
121108–121128 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties