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Molecule Identifiers
Molecular Properties

ID: 137467

SMILES:
C1(C=C(C)C)c2c(cc(CCCCC)cc2O)OC(C)(C)C1CCC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -17.141

InChIKey:
NDUAARLLEBTUFX-UHFFFAOYSA-N

ID: 137468

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.254

InChIKey:
VCLGFAQEAQPUSU-UHFFFAOYSA-N

ID: 137469

SMILES:
c12c(C)cc(OC)c(O)c1C1C(C(C)(C)O2)CCC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: Not available

InChIKey:
WVULASRMURRMTP-UHFFFAOYSA-N

ID: 137470

SMILES:
Oc1c2c(cc(C(C=C)(C)C)c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.241

InChIKey:
GABCRGOINCCKDV-UHFFFAOYSA-N

ID: 137471

SMILES:
C1(c2c(OC)cc(O)cc2O)C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.218

InChIKey:
UZWBOVFGUISXLX-UHFFFAOYSA-N

ID: 137472

SMILES:
CC(=O)CCc1c(C)c(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.094

InChIKey:
AHPCMCAAGDXZNX-UHFFFAOYSA-N

ID: 137473

SMILES:
O=C(OC)c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -18.079

InChIKey:
AYVVBMDDEODWMD-UHFFFAOYSA-N

ID: 137474

SMILES:
CC1CCC(C(C)=C)CC1c1c(O)ccc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -17.165

InChIKey:
LYLKFNSQCMKONE-UHFFFAOYSA-N

ID: 137475

SMILES:
Oc1c(C(CCCCCCCCCCC)=O)cc(O)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -11.107

InChIKey:
UYINOPQYUDHPOU-UHFFFAOYSA-N

ID: 137476

SMILES:
C1CC(O)(C)CC(c2c(O)cc(CCCCC)cc2O)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -18.505

InChIKey:
GBZNZTWLYLUBEZ-UHFFFAOYSA-N

ID: 137477

SMILES:
c1(C(c2c(O)c(O)cc(CCCCC)c2)=O)c2c(c(O)cc1OC)CC(C(C)=C)C(CC=C(C)CCC=C(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 562.747

CB1 binding score: -15.209

InChIKey:
XEKIPSMFJKPEQG-UHFFFAOYSA-N

ID: 137478

SMILES:
c12cc(C)c(O)cc1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 137479

SMILES:
c12ccc(C)c(CCCC)c1C(=O)CCC(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.186

InChIKey:
VZRIECKURZKFFG-UHFFFAOYSA-N

ID: 137480

SMILES:
C12CCC(C)=CC1c1c(cc(CC(C)C)cc1O)CC2C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.508

CB1 binding score: -15.288

InChIKey:
QFFXKJMUGNJERR-UHFFFAOYSA-N

ID: 137481

SMILES:
c12c(=O)cc(CCCCC)cc(O)c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.164

InChIKey:
DKBRWXGNSHZLJM-UHFFFAOYSA-N

ID: 137482

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 137483

SMILES:
CCCc1cc(O)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.632

InChIKey:
GZTFZZGSTIIBAC-UHFFFAOYSA-N

ID: 137484

SMILES:
C1C=C(C)CC2C(C(C)(C)Oc3cc(CCC)c(CCc4ccccc4)cc3O2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.594

CB1 binding score: -14.239

InChIKey:
HTSUAKWBTZKZKT-UHFFFAOYSA-N

ID: 137485

SMILES:
C(COc1c2c(cc(C)c1)C1CC(=C)CCC1C(C)(C)O2)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -12.644

InChIKey:
VLXVZLVEARLPBP-UHFFFAOYSA-N

ID: 137486

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 137487

SMILES:
C1CC(C)CC(c2c(O)cc(CCC)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.57

InChIKey:
LURPWARMGYBTPS-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties