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Molecule Identifiers
Molecular Properties

ID: 117412

SMILES:
C1(C)(C)Oc2cc(C)cc(O)c2C2C1CC(O)C(=C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.502

InChIKey:
CRUMWDKXUGRBQB-UHFFFAOYSA-N

ID: 117413

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.652

InChIKey:
YGSDIXSCKNPHAP-UHFFFAOYSA-N

ID: 117414

SMILES:
C(CCCCCCCC)CCC(OC1CC(C(C)=C)CCc2c(O)c(C)cc(O)c21)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -13.555

InChIKey:
LHKARTFRJXNXIU-UHFFFAOYSA-N

ID: 117415

SMILES:
Oc1c(OC)c(C)cc(OC)c1C1C(C(C)=C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -18.356

InChIKey:
SJQSKSDKDPDDBG-UHFFFAOYSA-N

ID: 117416

SMILES:
C=C(C)C(O)CCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.454

InChIKey:
AXEVFBMIKLHKQY-UHFFFAOYSA-N

ID: 117417

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 117418

SMILES:
C(=CC1(C)CCC(C)=CC1=O)CC1(C)C=Cc2c(c(C)cc(O)c2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -16.502

InChIKey:
LBMMBXSCERIMTP-UHFFFAOYSA-N

ID: 117419

SMILES:
C1CC(C)=CC(c2c(O)ccc(CC=C(C)CCC=C(C)C)c2O)C1C(O)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -17.182

InChIKey:
YYGVEQRSNKDYGG-UHFFFAOYSA-N

ID: 117420

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -15.47

InChIKey:
MIJIJUXEVWUWPO-UHFFFAOYSA-N

ID: 117421

SMILES:
C1(C)(C)Oc2c(c(OC)cc(CCCCC)c2)C2C1C1C=C(C)CC(O)CC3(C)OC(=O)C(=CC1)C32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.672

CB1 binding score: -16.081

InChIKey:
WLMYIWBSNZZYBF-UHFFFAOYSA-N

ID: 117422

SMILES:
C(C(CC(=O)c1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2)C)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.872

InChIKey:
IPMVDGBGNYKGGG-UHFFFAOYSA-N

ID: 117423

SMILES:
C1(C(C)=C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 117424

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC1CC2C(C(=C)CCC=C(C)C)CCC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.745

CB1 binding score: -15.675

InChIKey:
KSISMHIEYROCIZ-UHFFFAOYSA-N

ID: 117425

SMILES:
c1(O)cc(CCCCCC)cc(O)c1C1OC(C)C(OC)C(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -14.835

InChIKey:
CZGZRHQFZOXYHV-UHFFFAOYSA-N

ID: 117426

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(C)c(I)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.257

CB1 binding score: -15.003

InChIKey:
DUGYECTUJMYSJF-UHFFFAOYSA-N

ID: 117427

SMILES:
C(CC1C(=C)CCC1C(=C)C)Cc1c(O)cc(C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.062

InChIKey:
DRASGIOKTWBIMQ-UHFFFAOYSA-N

ID: 117428

SMILES:
c1(Cl)c(O)c(C)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -15.72

InChIKey:
OOAINADCMDMQIF-UHFFFAOYSA-N

ID: 117429

SMILES:
CC(OCC1=CC2(OC)C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -15.429

InChIKey:
QSVHMPKYKMGVEQ-UHFFFAOYSA-N

ID: 117430

SMILES:
C(c1ccc(C)c(OC2(CO)C(=O)CC(C(C)=C)C2)c1)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.24

InChIKey:
KJRHYIOCRHLMJO-UHFFFAOYSA-N

ID: 117431

SMILES:
C1(C)=CC2c3cc(c(O)cc3)OC(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -15.929

InChIKey:
MDXOWZXYDQJAQS-UHFFFAOYSA-N

ID: 117432

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1(C)OCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -16.391

InChIKey:
PMRACKJTUWENOM-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties