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Molecule Identifiers
Molecular Properties

ID: 119596

SMILES:
c1c(OC)cc(C(C)(C)OC(=O)C)c2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.566

InChIKey:
IIYGDPKSJQNHQS-UHFFFAOYSA-N

ID: 119597

SMILES:
C(C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 119598

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.655

InChIKey:
SZHRAJIVTRNORX-UHFFFAOYSA-N

ID: 119599

SMILES:
Clc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.779

CB1 binding score: -16.204

InChIKey:
BRVZPGABPSGFIP-UHFFFAOYSA-N

ID: 119600

SMILES:
c1(O)cc(CC=C(CCC=C(C)C)C)c(Oc2cc(CCCCC)cc(O)c2)cc1C(=O)OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -13.968

InChIKey:
KQNQZPIDJLBDRD-UHFFFAOYSA-N

ID: 119601

SMILES:
C1(C)C2C(C(O)C(=C)CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.433

InChIKey:
IJQPYINWXPLUOI-UHFFFAOYSA-N

ID: 119602

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C3(C)CCC(=C(C)C)C2C1(C)CC3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -16.019

InChIKey:
UUKGJYHJQAUHMC-UHFFFAOYSA-N

ID: 119603

SMILES:
c12cc(CCCCC)cc(O)c1C1(C)CC(O)C(O)(C)C1CC=C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.483

InChIKey:
AGVDGDXKEKYHKT-UHFFFAOYSA-N

ID: 119604

SMILES:
c1(O)c(=O)c(C)c(C2C=C(C)CCC2C(C)=C)c(O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.085

InChIKey:
QPOBDYBKYKGMPR-UHFFFAOYSA-N

ID: 119605

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(O)(CC=CC1(C)C)C(=O)C(C(C)=C)C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -16.058

InChIKey:
AHLQOKUBGSVVMX-UHFFFAOYSA-N

ID: 119606

SMILES:
C1CC(C(O)=O)=CC2C1C(C)(C)Oc1c2cc(CCC=C(C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -14.961

InChIKey:
NOYASVQOAHKPEG-UHFFFAOYSA-N

ID: 119607

SMILES:
c1(C)c2c(cc(C)c1CCOc1cc(CCCCC)cc(O)c1)C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -15.116

InChIKey:
MPPINGLFYVQKON-UHFFFAOYSA-N

ID: 119608

SMILES:
C(Cc1cc(O)cc(OCC=C(C)CCC=C(C)C)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.525

InChIKey:
WNSVUIROXBPTOJ-UHFFFAOYSA-N

ID: 119609

SMILES:
C(CCc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.124

InChIKey:
AUZDSBKAZLVJHB-UHFFFAOYSA-N

ID: 119610

SMILES:
c1cc(CC=C(C)C)cc2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 296.454

CB1 binding score: -16.146

InChIKey:
AFAJYZVMSJWWEA-UHFFFAOYSA-N

ID: 119611

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.048

InChIKey:
FUZJMTMPVZRGQF-UHFFFAOYSA-N

ID: 119612

SMILES:
c1(O)c(O)cc(CC=C(CCC=C(CCC=C(C)C)CO)C)c(O)c1CCCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -16.622

InChIKey:
BDRONUDDBHPSGG-UHFFFAOYSA-N

ID: 119613

SMILES:
C1(C)=CC(c2cc(CCCCCO)ccc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.187

InChIKey:
GLFTUTFSSQRTJA-UHFFFAOYSA-N

ID: 119614

SMILES:
C1(C)=CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 244.334

CB1 binding score: -18.557

InChIKey:
QRZMQPSOOQOOQS-UHFFFAOYSA-N

ID: 119615

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 119616

SMILES:
CC(Cc1c(O)c2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.675

InChIKey:
DIPDHCAISQBQDB-UHFFFAOYSA-N

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119596–119616 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