Browse

Molecule Identifiers
Molecular Properties

ID: 118189

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 118190

SMILES:
CCCCCc1cc(O)c2c(c1)OC1(C)C(C2(C)C)C(O)C2C(=C)COC2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -16.502

InChIKey:
JOQNJIDBOSLUNR-UHFFFAOYSA-N

ID: 118191

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C(OCC)C(C)C(=O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.955

InChIKey:
HBWBJTVBNJVALI-UHFFFAOYSA-N

ID: 118192

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 118193

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 118194

SMILES:
O1c2cc(CCCCC)cc(OC)c2C2C1(C)CCC1C(C)(C)OC(C1)C2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -17.18

InChIKey:
ZWGAACDOWBKKMJ-UHFFFAOYSA-N

ID: 118195

SMILES:
CC(=CCc1c(O)cc(CCC)cc1OC)CC(C=C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 316.441

CB1 binding score: -16.724

InChIKey:
DOZWCACWQNICBS-UHFFFAOYSA-N

ID: 118196

SMILES:
CC(C)=C1CC2C(C)(C)Oc3c(c(O)cc(CCC)c3CC=C(C)C)C2(O)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -12.266

InChIKey:
KUCJALLLJVCSQL-UHFFFAOYSA-N

ID: 118197

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(C)c(O)cc3C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 118198

SMILES:
CC(=C)C1C(c2cc(O)c(CC=C(C)CCC=C(C)C)cc2O)C=C(C)C(=O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -14.578

InChIKey:
VATUBPRDIRUAAZ-UHFFFAOYSA-N

ID: 118199

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)C=CC(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.25

InChIKey:
PGZISGZFEFJPOZ-UHFFFAOYSA-N

ID: 118200

SMILES:
CC(Oc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -18.925

InChIKey:
KWCPTWFYEQWWLE-UHFFFAOYSA-N

ID: 118201

SMILES:
CC(C1CCC(C)=CC1c2c(O)cc(CCCCC)cc2O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 118202

SMILES:
C=C(C)C1C(c2c(O)cc(CCCCC)cc2OC)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 118203

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -19.028

InChIKey:
QHZLUVDETBQVKV-UHFFFAOYSA-N

ID: 118204

SMILES:
C1C(=O)CC(C)C2(Oc3c(c(O)cc(C)c3)C2CC)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.514

InChIKey:
KOGURXBJMICKLX-UHFFFAOYSA-N

ID: 118205

SMILES:
c1c(CCC=C(C)[CH])cc(CC=C(C)CCC=C(C)C)c(O)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -14.587

InChIKey:
FLFCRWLMSFUJHU-UHFFFAOYSA-N

ID: 118206

SMILES:
C(CC=C(C)C)C1(C)Oc2c(CCCCC)cc(O)cc2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.291

InChIKey:
FFUWPSOUQRLGHT-UHFFFAOYSA-N

ID: 118207

SMILES:
c1(CCC)c(C=O)cc(O)c2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -13.253

InChIKey:
KKGGUOOTOSMSSR-UHFFFAOYSA-N

ID: 118208

SMILES:
Oc1cc(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc1CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -17.698

InChIKey:
JDMYRJILRCQJAV-UHFFFAOYSA-N

ID: 118209

SMILES:
C12C(CC(C)C1)c1c(C)cc(O)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -16.502

InChIKey:
CKHDSSVLQNWREF-UHFFFAOYSA-N

◀5626562756285629563056315632▶
118189–118209 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