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Molecule Identifiers
Molecular Properties

ID: 124720

SMILES:
C12=Cc3c(cc(C)c(O)c3)C1(CC=C(C)C)[nH]Cc1c(O)cc(CCC)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 433.592

CB1 binding score: -15.754

InChIKey:
FZRQBSWIIKOJFK-UHFFFAOYSA-N

ID: 124721

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 124722

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.502

InChIKey:
QELPOOJFMJDRQE-UHFFFAOYSA-N

ID: 124723

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=C2C(OC)C(CO)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.595

InChIKey:
MZNRULHMISQJOZ-UHFFFAOYSA-N

ID: 124724

SMILES:
C=C1C(=O)OCC2=C1C=CC=CC1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -16.348

InChIKey:
DNCWFAMIEZKANV-UHFFFAOYSA-N

ID: 124725

SMILES:
C1=C(C)C(O)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 124726

SMILES:
C1CC2(C)c3c(O)cc(CCCCC)cc3OC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.85

InChIKey:
HPQNODPVBKSBCK-UHFFFAOYSA-N

ID: 124727

SMILES:
C1(OC)=CC(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -15.374

InChIKey:
IXESWKWHQJEYTL-UHFFFAOYSA-N

ID: 124728

SMILES:
Oc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.407

InChIKey:
QMFTYLCWBOBNGL-UHFFFAOYSA-N

ID: 124729

SMILES:
C1(C)COc2c(c(O)cc(CCCCC)c2)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -16.231

InChIKey:
ABZBJWNASVETIU-UHFFFAOYSA-N

ID: 124730

SMILES:
c1(OC(=O)CC)cc(C)c(C2C(C(=C)C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -12.702

InChIKey:
HEOGQNXIZJDXEY-UHFFFAOYSA-N

ID: 124731

SMILES:
CC(C)=CC(OC1CC(C(C)=C)C2c3c(cc(CCCCC)cc3OC2(C)C)C(O)C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -17.046

InChIKey:
ZQKLQWSKPRYJQU-UHFFFAOYSA-N

ID: 124732

SMILES:
C12C(C(C)C)CCC(C)(CC1)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.036

InChIKey:
GXFRYRHSTXPKCQ-UHFFFAOYSA-N

ID: 124733

SMILES:
C(Cc1cc(C(O)=O)cc(C2C(C(C)(O)C)CCC(C)=C2)c1O)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.387

InChIKey:
AHEDXACOKSGOMS-UHFFFAOYSA-N

ID: 124734

SMILES:
CC(=CCCC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 124735

SMILES:
C1(C)=CCCC23C(=O)OC(C12)c1cc(C(OC)=O)c(CCCCC)cc1O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -17.64

InChIKey:
JOBKVYFDGIQAOP-UHFFFAOYSA-N

ID: 124736

SMILES:
CC(c1cc(O)c2c(c1)OC(CCCC(C)=C)(C)C1C(C=C(C)CCC=C1C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -14.839

InChIKey:
XPBGDINSTKNTJH-UHFFFAOYSA-N

ID: 124737

SMILES:
C(C(c1c(O)cc(CCC)cc1O)=O)C=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -18.123

InChIKey:
INRFSARSMZRBQJ-UHFFFAOYSA-N

ID: 124738

SMILES:
CC1(C=O)C2C(=O)C(Oc3c(C(=O)OC)cc(CCCC)cc3O)C1(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.405

CB1 binding score: -13.522

InChIKey:
NDAUPHIGFWIEAI-UHFFFAOYSA-N

ID: 124739

SMILES:
C(CC=C(C)C)C1(C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.384

InChIKey:
SQVDHEGNZXHONQ-UHFFFAOYSA-N

ID: 124740

SMILES:
C12C(C)=C(CCC(C(O)=O)=CC1c1cc(CC=C(C)C)cc(CCCCCC)c1)C(=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -16.689

InChIKey:
ZBESEXFGHVFVOA-UHFFFAOYSA-N

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124720–124740 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