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Molecule Identifiers
Molecular Properties

ID: 106723

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 106724

SMILES:
c1c(O)cc(C)c(C2C(C(C)=C)CCC(C)=C2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.175

InChIKey:
GJXWWWKLUZSVGM-UHFFFAOYSA-N

ID: 106725

SMILES:
C(c1c(O)c2c(cc1C)OC(C)(C)c1c-2cc(C)c(O)c1)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -12.26

InChIKey:
GEEZXPWVJRTJRO-UHFFFAOYSA-N

ID: 106726

SMILES:
C(C)(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)CC21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.766

InChIKey:
JVXDJMUHRLKDIR-UHFFFAOYSA-N

ID: 106727

SMILES:
C(=O)(C=C(C)C)c1c(O)c2c(cc1C(CC(C)C)=O)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.19

InChIKey:
VAEMVNFHPQULNR-UHFFFAOYSA-N

ID: 106728

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -18.334

InChIKey:
FXRJUDFPOXURIX-UHFFFAOYSA-N

ID: 106729

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 106730

SMILES:
CC1(C)Oc2ccc(O)cc2C2CC(C)=CCC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.07

InChIKey:
LIEZPCZOEMYUIR-UHFFFAOYSA-N

ID: 106731

SMILES:
C1CC23C(CC1O)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2CC(C)C3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.981

InChIKey:
CMMNGGOSJYRPDV-UHFFFAOYSA-N

ID: 106732

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCC(O)=O)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.321

CB1 binding score: -16.241

InChIKey:
HRSFQOWSYBWQDD-UHFFFAOYSA-N

ID: 106733

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 106734

SMILES:
C1(O)C=C(C)CC(OC(=O)C=C(C)C)C2C(c3c(O)cc(CCC)cc3O2)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -15.379

InChIKey:
KOEJZYIZYWCKSX-UHFFFAOYSA-N

ID: 106735

SMILES:
C1(C)(C)OC1CC(=O)c1ccc2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.431

CB1 binding score: -13.884

InChIKey:
FETIWGGGJNZMNQ-UHFFFAOYSA-N

ID: 106736

SMILES:
C1(C)C2Oc3cc(CCCCC)cc(O)c3C2C2C(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.093

InChIKey:
CXMZZIOKKUQPCS-UHFFFAOYSA-N

ID: 106737

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -14.83

InChIKey:
JTRFPISPNISUAO-UHFFFAOYSA-N

ID: 106738

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C)(O2)OC2(CC1)C(C)=CC(=O)C1(O)C(C)(C)CCCC12C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -14.934

InChIKey:
GEZFMGUEFACWMS-UHFFFAOYSA-N

ID: 106739

SMILES:
C1C2(C(=C(C)C)CCC2(CC(=O)c2ccc(O)cc2OC)O)Oc2c1ccc(CCCCC)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.602

CB1 binding score: -15.12

InChIKey:
MOHVPLPSJXLROD-UHFFFAOYSA-N

ID: 106740

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1cc3c(cc12)c(C)ccc3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.497

CB1 binding score: -14.724

InChIKey:
XOEJLSRQUQWSPB-UHFFFAOYSA-N

ID: 106741

SMILES:
C1C(Oc2cc(CCCCC)cc(O)c2O)C=C(C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -13.521

InChIKey:
JMQRPYPMDMOHJW-UHFFFAOYSA-N

ID: 106742

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC(C)(C(CCC3(C)C(C(=O)C)O3)C(OC=O)C=C2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.687

CB1 binding score: -13.702

InChIKey:
FAEVRKZAJPRIHK-UHFFFAOYSA-N

ID: 106743

SMILES:
c1(C2CC(C)=CC(=O)C2)c(O)c(CCC(C)CCC=C(C)C)c(O)c(C=O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.929

InChIKey:
QDLZWLBALRDKFR-UHFFFAOYSA-N

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106723–106743 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