Browse

Molecule Identifiers
Molecular Properties

ID: 66172

SMILES:
C(=C)(C1CC(=O)C(C)=CC1c1c(O)cc(CCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -18.369

InChIKey:
YUWDHDPGZUPROY-UHFFFAOYSA-N

ID: 66173

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.528

InChIKey:
NLFHGEQJMBHQQZ-UHFFFAOYSA-N

ID: 66174

SMILES:
c12c(c(O)cc(CCC(OC(=O)C)C=C)c1)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -16.701

InChIKey:
CVZXZNGCQQKRLF-UHFFFAOYSA-N

ID: 66175

SMILES:
c1(O)cc(CCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 66176

SMILES:
c1(O)cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 66177

SMILES:
CC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 66178

SMILES:
C1(C)(O)CC2C(CC1)C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -17.123

InChIKey:
VSZQEUYHLCIKBY-UHFFFAOYSA-N

ID: 66179

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.691

InChIKey:
JUCOHRGEXRGBDB-UHFFFAOYSA-N

ID: 66180

SMILES:
C(CCCc1cc(O)c(C2C(C(C)=C)CC(O)C(COC(C)=O)=C2)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -16.134

InChIKey:
DIKZAKHPUWENKO-UHFFFAOYSA-N

ID: 66181

SMILES:
C(C)CCCc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(CO)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.677

InChIKey:
KOVIXEDIXZAYDD-UHFFFAOYSA-N

ID: 66182

SMILES:
O(C)C1=CC(=O)C2(c3c1cc(CCCCC)cc3)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -15.314

InChIKey:
CKXURHGMWYDZQH-UHFFFAOYSA-N

ID: 66183

SMILES:
N(C(C)(C)C1CCC(C)=CC1c1cc(O)cc(CCCCC)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 329.528

CB1 binding score: -14.788

InChIKey:
LYUFAMDHGVTNBN-UHFFFAOYSA-N

ID: 66184

SMILES:
OC12CCC(C)CC1c1c(cc(CCCCC)cc1O)OC(C)(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.339

InChIKey:
LICNYBFZOKXGFU-UHFFFAOYSA-N

ID: 66185

SMILES:
C(=CCCCCc1c2c(c(O)cc1C)OC(C)(C)C1C2C=C(C)CC1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -14.504

InChIKey:
ALLBGTZHNSCUMX-UHFFFAOYSA-N

ID: 66186

SMILES:
Oc1c(C2C=C(C)CCC2C(COC(C)=O)=C)c(OC(=O)C)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -16.381

InChIKey:
KNTUHLMBUCFIJF-UHFFFAOYSA-N

ID: 66187

SMILES:
C(C1=CC2C(C(C)(C)Oc3ccc(O)cc32)CCC(C)=CCC1)OC(C(C)=CCCC(OC(=O)CCCCCC)=O)(C)C=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 606.844

CB1 binding score: -13.811

InChIKey:
QVQSGBSCMKLZLF-UHFFFAOYSA-N

ID: 66188

SMILES:
C1(c2c(O)cc(CCCCC)cc2)C(C(C)=C)CCC(c2ccc(O)c(O)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -15.086

InChIKey:
FZNBZCSAASBEAG-UHFFFAOYSA-N

ID: 66189

SMILES:
C1(C)C2(O)C3C(c4c(cc(CCCCC)cc4O)OC3(C)CC2)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -13.485

InChIKey:
UUUFWQIOMPEIOK-UHFFFAOYSA-N

ID: 66190

SMILES:
c1c2c(ccc1CCCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -17.133

InChIKey:
ZHIBKDCGILZWOW-UHFFFAOYSA-N

ID: 66191

SMILES:
CC1(C(OO)CCC(C)=CCCC(C)=CCc2c(O)c(C)cc(O)c2)CCC(=O)C(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.611

CB1 binding score: -15.275

InChIKey:
FYCDTVNNPUIUOK-UHFFFAOYSA-N

ID: 66192

SMILES:
CC1CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

3149315031513152315331543155
66172–66192 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