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Molecule Identifiers
Molecular Properties

ID: 73564

SMILES:
Oc1cc(CCCCC)ccc1C1(C)CC=CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.405

CB1 binding score: -14.605

InChIKey:
JUDWSCUDPZPMEX-UHFFFAOYSA-N

ID: 73565

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)c1ccccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.486

CB1 binding score: -19.258

InChIKey:
DYHMKBLKWFFFSZ-UHFFFAOYSA-N

ID: 73566

SMILES:
C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.148

InChIKey:
KVLOTQUKBMKTIL-UHFFFAOYSA-N

ID: 73567

SMILES:
O1C23C(C(OC(=O)C)C(C)C1)c1c(O)cc(CCCCC)cc1OC2(C)CC3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.537

InChIKey:
GCWXKSVDBGIWPY-UHFFFAOYSA-N

ID: 73568

SMILES:
ClC=CCc1cc2c(c(O)c1OC)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.87

CB1 binding score: -14.864

InChIKey:
KRGQLPNOPZHTFS-UHFFFAOYSA-N

ID: 73569

SMILES:
CC1(C)Oc2cc(CCCCC)cc(OC)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 73570

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2C2C(CC=C2CO)C(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.579

InChIKey:
IOZQQHUFJLVRQP-UHFFFAOYSA-N

ID: 73571

SMILES:
CCC(=CC(Cc1c(O)c(C2C=C(C)CCC2C(C)=C)cc(O)c1O)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -17.899

InChIKey:
SABIXYASIGDRNG-UHFFFAOYSA-N

ID: 73572

SMILES:
CC1=CC(c2c(O)c(C)c(CCC(C)C(O)=O)c(O)c2)C(C(O)(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -16.494

InChIKey:
MWVANCFZWHLIBH-UHFFFAOYSA-N

ID: 73573

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.723

InChIKey:
WKFVIMFNRJVSJG-UHFFFAOYSA-N

ID: 73574

SMILES:
C1(C)(C2CO2)CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -11.848

InChIKey:
YEEHDADZHUEZFM-UHFFFAOYSA-N

ID: 73575

SMILES:
C(CCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1O)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.656

CB1 binding score: -15.109

InChIKey:
PAQZWKOGMLISGE-UHFFFAOYSA-N

ID: 73576

SMILES:
C1(C)(C)OC(=O)C=C2CC3C(C)(C(O)C=C3C)Oc3c1c(O)cc(CCCCC)c32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.526

CB1 binding score: -15.929

InChIKey:
XRFYDTUHGOBAPF-UHFFFAOYSA-N

ID: 73577

SMILES:
C1=C(C)CC2C(C1)C(C)(C)Oc1c2ccc(O)c1CC=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -16.417

InChIKey:
OFNSMPSSQGIRMK-UHFFFAOYSA-N

ID: 73578

SMILES:
Oc1c(CC=C(C)C)c(O)c(C(O)=O)c(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -19.394

InChIKey:
IQDBYPKRWVDTCI-UHFFFAOYSA-N

ID: 73579

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.905

InChIKey:
OEARNPGEIWTBPT-UHFFFAOYSA-N

ID: 73580

SMILES:
C=C(C)C1Oc2c(c(O)c(C=O)c(CCCCC)c2)-c2c(c(O)ccc2O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.456

CB1 binding score: -15.01

InChIKey:
DCBXSGLYOJXGQF-UHFFFAOYSA-N

ID: 73581

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)(O)CCC=C(C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.502

InChIKey:
WHRVAXMGZNCCRR-UHFFFAOYSA-N

ID: 73582

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CC=C(COC(=O)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -17.004

InChIKey:
YPVOZBGNUFYCHV-UHFFFAOYSA-N

ID: 73583

SMILES:
C(C12c3c(cc(CCCCC)cc3O)OC(C)(C)C1C2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.434

InChIKey:
XQPCDBWJTZFUSL-UHFFFAOYSA-N

ID: 73584

SMILES:
C1(=O)c2c(O)c(CC=C(C)CCCCCC)c(OC(C)=O)cc2OC(C)(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -16.224

InChIKey:
SNAWPKOMJFGAFU-UHFFFAOYSA-N

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73564–73584 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