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Molecule Identifiers
Molecular Properties

ID: 107521

SMILES:
CC1CC(C)C(C(=C2C(C(=O)C(C(=O)OC)=COC)C(C)C=C2C)CCC(=C)C)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 578.79

CB1 binding score: -15.154

InChIKey:
WZBGFALRXGYUFP-UHFFFAOYSA-N

ID: 107522

SMILES:
C1C(OC)C2=CC(C1C)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.538

InChIKey:
FGQCFOZLIHDMTJ-UHFFFAOYSA-N

ID: 107523

SMILES:
c1(O)c2c(c(O)cc1CCCCC)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.339

InChIKey:
DPWWYSVEFIPIFU-UHFFFAOYSA-N

ID: 107524

SMILES:
c1c(O)cc(C)c2c1C1CC(C)(C)OC1(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -16.583

InChIKey:
BXMAMWHIHGIEGC-UHFFFAOYSA-N

ID: 107525

SMILES:
C=C1C23c4c(cc(CCCCCC)cc4O2)OCC(C2(C)C(CCC(O)(C)CO2)C(C)(C)OC3=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.687

CB1 binding score: -14.742

InChIKey:
ARNQBLKYKBSVTC-UHFFFAOYSA-N

ID: 107526

SMILES:
CC(=CCCC(=CCCC(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)=C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.707

CB1 binding score: -18.03

InChIKey:
ZVQCFOYMLSCRDG-UHFFFAOYSA-N

ID: 107527

SMILES:
c1(O)cc2c(c(OC)c1)C1C(CC=C(CO)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -13.922

InChIKey:
QXGKEWPJDQIATN-UHFFFAOYSA-N

ID: 107528

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 107529

SMILES:
C1(C)(C)C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.69

InChIKey:
ZRWRCOMYRUKRRN-UHFFFAOYSA-N

ID: 107530

SMILES:
C(=CC)Cc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -15.948

InChIKey:
GNPKGIBSIWLASY-UHFFFAOYSA-N

ID: 107531

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.622

InChIKey:
NEBZNJDFIPBXCS-UHFFFAOYSA-N

ID: 107532

SMILES:
O(c1cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)(OC(C)=O)C)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -15.383

InChIKey:
LDGCGVNRUOFHDS-UHFFFAOYSA-N

ID: 107533

SMILES:
CC1(C(O)=O)CC(OC(C)=O)C2(C)C(C1O)c1c(cc(CCCCC)cc1OC(=O)C)OC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.539

CB1 binding score: -15.847

InChIKey:
CPXRQYUFHXFFBZ-UHFFFAOYSA-N

ID: 107534

SMILES:
C(CCc1cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2)C=CC=CCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -15.269

InChIKey:
SSLZNVCIZAZCQO-UHFFFAOYSA-N

ID: 107535

SMILES:
c1(CC=C(C=CC=C(C)CCC=C(C)C)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -18.271

InChIKey:
JXXJJXLQWSOOCV-UHFFFAOYSA-N

ID: 107536

SMILES:
C(CCC(OC(C1CCC(C)=CC1c1c(OC)cc(CCCCC)cc1OC(=O)C)=O)(C)C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.693

CB1 binding score: -13.522

InChIKey:
VEEVTQCPIXSCHF-UHFFFAOYSA-N

ID: 107537

SMILES:
Clc1c(OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -16.029

InChIKey:
MNRYHBUAMKPMMT-UHFFFAOYSA-N

ID: 107538

SMILES:
C(O)(=O)c1cc(OC)c2c(c1O)C(c1c3c(ccc1CCCC)OC(C)(C)C1CCC(C)(O3)C1)C(C)(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.654

CB1 binding score: -16.527

InChIKey:
CSYUKLUNNVBTCA-UHFFFAOYSA-N

ID: 107539

SMILES:
C(C)(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 107540

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 107541

SMILES:
C(CC)Cc1cc(OC)c2c(c1)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -16.513

InChIKey:
KZHLVTFKDAENDK-UHFFFAOYSA-N

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107521–107541 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