Browse

Molecule Identifiers
Molecular Properties

ID: 38179

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.828

InChIKey:
AEBYXSGFDNBTHZ-UHFFFAOYSA-N

ID: 38180

SMILES:
O(c1c(O)c(CCCCC)cc(O)c1C1C=C(C)CCC1C(=C)C)c1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.566

CB1 binding score: -15.411

InChIKey:
QGNHKAFVHFEOAE-UHFFFAOYSA-N

ID: 38181

SMILES:
C(C1C(C)(C)Oc2cc(CCCCC)cc(O)c21)=CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.692

InChIKey:
AJYLMMLFCMNMDQ-UHFFFAOYSA-N

ID: 38182

SMILES:
C1CCC2(C)Oc3cc(CCCCC)cc(O)c3C3C2(CO3)C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.029

InChIKey:
MRFLBRSQDDEWSW-UHFFFAOYSA-N

ID: 38183

SMILES:
OC1(C(C)C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.131

InChIKey:
WLNJIJBJAKEGKI-UHFFFAOYSA-N

ID: 38184

SMILES:
C(CC)CCc1cc(OC)c(CC=C(CCC=C(C)C)C)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -18.913

InChIKey:
GDBWRAFIFHBEOL-UHFFFAOYSA-N

ID: 38185

SMILES:
O=C(OCC)c1c(CCCCCCCCCC)cc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.668

CB1 binding score: -14.963

InChIKey:
DGFOTDBJMRPZQW-UHFFFAOYSA-N

ID: 38186

SMILES:
c1(CCC)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c2c1OC(C)(C)C1C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.651

CB1 binding score: -15.72

InChIKey:
AQFGPGWIOLFIKJ-UHFFFAOYSA-N

ID: 38187

SMILES:
C(CCCc1cc2c(c(O)c1)C1C2C(C)(O)CCC1C(O)(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.328

InChIKey:
AYKCIEPFSLTNQP-UHFFFAOYSA-N

ID: 38188

SMILES:
C1C(O)C(C)(C)C2(C)CC(C)(O2)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -16.522

InChIKey:
AHOQIURMAOPBCU-UHFFFAOYSA-N

ID: 38189

SMILES:
C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(O)C)c1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -16.705

InChIKey:
AANRBWMLYWAOPR-UHFFFAOYSA-N

ID: 38190

SMILES:
CCCCCc1cc(OC)c2c3c1C=CC1=CC(=O)C(C)=C1OC3(C)CCCC(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -16.502

InChIKey:
QOBOPTQERAQHJY-UHFFFAOYSA-N

ID: 38191

SMILES:
C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.471

CB1 binding score: -19.804

InChIKey:
VGBLUPCGCQUYRW-UHFFFAOYSA-N

ID: 38192

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 38193

SMILES:
CC1C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.945

InChIKey:
BMHWBDFIQAZUEO-UHFFFAOYSA-N

ID: 38194

SMILES:
c1c(CCCCC)cc2c(c1O)C1CC(C)(O2)OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.623

InChIKey:
YOERXBIIQCLZRX-UHFFFAOYSA-N

ID: 38195

SMILES:
Cc1c(C)cc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -17.84

InChIKey:
KHIWHNITEDEHML-UHFFFAOYSA-N

ID: 38196

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)c(O)cc(CCc2cc(O)cc(OC)c2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -16.095

InChIKey:
LAVWKHRLNSVPFO-UHFFFAOYSA-N

ID: 38197

SMILES:
CC1(C)CC(OC(C)=O)CC23c4c(OC)cc(CCC(CCC=C(C)C)C)cc4OC21COC3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.633

CB1 binding score: -17.014

InChIKey:
GRXMKANJEZPIBV-UHFFFAOYSA-N

ID: 38198

SMILES:
C12C(C(C)(C=C)CO1)Oc1c(c(O)cc(CCCCC)c1)C2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.963

InChIKey:
FGNWCPRHLFIIQM-UHFFFAOYSA-N

ID: 38199

SMILES:
O=C(C)OC1C(C)=CC2C(C(C)(C)Oc3c2ccc(C)c3)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -13.932

InChIKey:
BXRDWNSUTFGPTM-UHFFFAOYSA-N

1816181718181819182018211822
38179–38199 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