Browse

Molecule Identifiers
Molecular Properties

ID: 124279

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 124280

SMILES:
C(CCc1cc(O)c(C2C=C(C)CC(c3c(OC)ccc(CCN(C)C)c3)C2C(=C)C)cc1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 475.717

CB1 binding score: -13.01

InChIKey:
VKXBPQDICWDKCN-UHFFFAOYSA-N

ID: 124281

SMILES:
c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 124282

SMILES:
CC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -20.991

InChIKey:
VUUOQMIMZAXLBK-UHFFFAOYSA-N

ID: 124283

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)C(C)C(OC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -14.42

InChIKey:
XUGNGKJTMSBORD-UHFFFAOYSA-N

ID: 124284

SMILES:
O1c2c(c(O)cc(CCCCC)c2)CC2=C(C)CCC3C(C3(C)C)C12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -15.417

InChIKey:
GRHJAUBSXRBYLT-UHFFFAOYSA-N

ID: 124285

SMILES:
CC1(O)CCC2=C(c3c(O)cc(CCCCC)cc3O1)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.791

InChIKey:
SSRJEWFCSPWVAK-UHFFFAOYSA-N

ID: 124286

SMILES:
OC1(C)CC2Oc3cc(CCCCC)cc(O)c3C2C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -14.965

InChIKey:
FYTUBUUDAJKMNF-UHFFFAOYSA-N

ID: 124287

SMILES:
C1CC(C(C)=C)C(c2c(O)c(C)cc(O)c2)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.975

InChIKey:
UUVKQBRZNCLIFS-UHFFFAOYSA-N

ID: 124288

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1=CCC(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.797

InChIKey:
UQOUHXDCXBITSF-UHFFFAOYSA-N

ID: 124289

SMILES:
O=C(C=C(C)C)Oc1cc(CCCCC)cc2c1C1CC(C)C(=O)C=C1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -13.374

InChIKey:
HLRIOQVBPAIODJ-UHFFFAOYSA-N

ID: 124290

SMILES:
C(c1c(O)cc(CCCCC)cc1OC1C(C(CCC=C(C)C)C)CCC(C)=C1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.739

CB1 binding score: -13.983

InChIKey:
GFAMCOQLWLLVOA-UHFFFAOYSA-N

ID: 124291

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 124292

SMILES:
C1(C)(C)CCc2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 124293

SMILES:
c1(C2C3(OCC(=C)C(OC)C3)c3c(O)cc(CCCCC)cc3O2)cocc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -18.616

InChIKey:
BVTUYNALNDURLW-UHFFFAOYSA-N

ID: 124294

SMILES:
CCCc1c(O)cc(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.95

InChIKey:
YCGKZROQHXAHBE-UHFFFAOYSA-N

ID: 124295

SMILES:
CC1(C)C=Cc2c(O)c(OC)cc(CCCCC)c2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.513

InChIKey:
JHSRGQDUAFYNHM-UHFFFAOYSA-N

ID: 124296

SMILES:
OC12C(OC1)C=C(C)C1C2C=C(C)C(=O)CC2C(C)(C)Oc3cc(C)cc(c32)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.483

CB1 binding score: -11.782

InChIKey:
FYSYISAGGUUDCH-UHFFFAOYSA-N

ID: 124297

SMILES:
c1cc(C)c(O)c(C2C(C(C)=C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -17.09

InChIKey:
ZWDLHUFOIPWJPT-UHFFFAOYSA-N

ID: 124298

SMILES:
CC(C1CC2C(C)=CC1c1c(O)cc(CCCCC)cc1OC2=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.507

InChIKey:
DJBSBRKIBIMRCJ-UHFFFAOYSA-N

ID: 124299

SMILES:
CCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

◀5916591759185919592059215922▶
124279–124299 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