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Molecule Identifiers
Molecular Properties

ID: 70120

SMILES:
CC(C)=CCCC(=C)CCC(C)(O)C1Oc2c(c(C)cc(O)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.813

InChIKey:
VQFMLGAKVPROLL-UHFFFAOYSA-N

ID: 70121

SMILES:
C(=C)(CC1C=C(C)C2CCC(C)C2C1c1c(O)cc(CCC)cc1O)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.396

InChIKey:
RNAAXDAAPCOGDU-UHFFFAOYSA-N

ID: 70122

SMILES:
c12cc(CCCCC)cc(O)c1OC1(C)C3C(C(C)(C)C3C(OC(C)=O)C2)CC(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: Not available

InChIKey:
HCYCTYLFVFAJDO-UHFFFAOYSA-N

ID: 70123

SMILES:
c1(O)cc(CCCC)cc2c1C1(O)CC(C)(O2)C2CC1O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -13.256

InChIKey:
HXJMOJSITLFETJ-UHFFFAOYSA-N

ID: 70124

SMILES:
C(C=C(C)C=CCC(C)=CCc1c(O)c(C)cc(O)c1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.339

InChIKey:
YJIJQYKRECIVSO-UHFFFAOYSA-N

ID: 70125

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.624

InChIKey:
SFKCWCDDXYSANA-UHFFFAOYSA-N

ID: 70126

SMILES:
C(C(=O)O)(OCC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -16.655

InChIKey:
AZLGANRDIFUIOZ-UHFFFAOYSA-N

ID: 70127

SMILES:
c1(O)c(C(=O)C(C)CC)c2c(c(C)c1)C(CCCCC)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -12.146

InChIKey:
QKAHWXWXYHTDLU-UHFFFAOYSA-N

ID: 70128

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -17.195

InChIKey:
PGUKFMPDVQLGFQ-UHFFFAOYSA-N

ID: 70129

SMILES:
C1(C)(C)CC(O)CC2(C)Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.748

InChIKey:
VZCNVMVFIRXRPA-UHFFFAOYSA-N

ID: 70130

SMILES:
CC1(O)C2C(C=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.334

InChIKey:
RMPJLOOPOSSOPS-UHFFFAOYSA-N

ID: 70131

SMILES:
CC(CCC=C(C)C)=CCc1c(O)c(C(=O)C(CC)C)c(O)c2c1OC(C)(C)C1C2C(C(C)C)CCC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 540.785

CB1 binding score: -16.655

InChIKey:
LQXOCSAQAZHSGK-UHFFFAOYSA-N

ID: 70132

SMILES:
C(CCCCC(CC)C)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -14.322

InChIKey:
XGHJGBLWFWVUNT-UHFFFAOYSA-N

ID: 70133

SMILES:
CC(c1cccc(O)c1Cc1c2c(cc(CCCCC)c1)OC(C)(C)C(O)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -14.378

InChIKey:
YXVNBDJSHATRJB-UHFFFAOYSA-N

ID: 70134

SMILES:
Oc1c(OC)c2c(c(C(C)C(OC(=O)C)C(CC)C)c1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.584

CB1 binding score: -15.88

InChIKey:
DTDYPLYHNTZYES-UHFFFAOYSA-N

ID: 70135

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.315

InChIKey:
BTEKVAYLKPKHPG-UHFFFAOYSA-N

ID: 70136

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 70137

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 70138

SMILES:
O(c1c2c3c(cc(CC=C(C)C)c(O)c3)OC(C)(C)C2CC1CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.547

InChIKey:
YVZMPJQZEDPWOF-UHFFFAOYSA-N

ID: 70139

SMILES:
c1(C)cc2c(c3c1OC(CCCC(C)(C)O)(C)C=C3)C(C)(C)Oc1c2cc(C(C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -15.744

InChIKey:
NNPIYLLTPODZLV-UHFFFAOYSA-N

ID: 70140

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)c(C(=O)O)c2O)C(C(C)CCC=C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -16.502

InChIKey:
UANWWXZNYJMWPP-UHFFFAOYSA-N

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70120–70140 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