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Molecule Identifiers
Molecular Properties

ID: 114682

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 114683

SMILES:
C1CC(C)=CC(c2c(O)cc(CCCCCF)cc2)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.46

CB1 binding score: -16.179

InChIKey:
DIALDIIXAMACPH-UHFFFAOYSA-N

ID: 114684

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.464

InChIKey:
DBAGXENKNGSOQX-UHFFFAOYSA-N

ID: 114685

SMILES:
C(O)(C12CCC(C)=CC1c1c(cc(CCCCC)cc1O)OC(C)(C)C=C2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -16.811

InChIKey:
FDOQXEYZXAMNJI-UHFFFAOYSA-N

ID: 114686

SMILES:
c1(C)c(O)ccc(O)c1C1C=C(CO)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -15.178

InChIKey:
DEFGZDGBTXLQMI-UHFFFAOYSA-N

ID: 114687

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 114688

SMILES:
CC(OC1C(C)=CC(c2c(O)ccc(CC=C(C)CCC=C(C)C)c2O)C(C)(C)O1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.767

InChIKey:
BCRFPPMMAZNEQV-UHFFFAOYSA-N

ID: 114689

SMILES:
O(C)c1c(O)c(C2C(C(C)=C)CCC(CO)=C2)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.69

InChIKey:
ORLKAMMJTGKCRP-UHFFFAOYSA-N

ID: 114690

SMILES:
c1(CCl)cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 429.044

CB1 binding score: -15.288

InChIKey:
KMCAYIUULZWUDR-UHFFFAOYSA-N

ID: 114691

SMILES:
CC1(C)C2CCC(C)([N]C)CC2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.52

CB1 binding score: -16.57

InChIKey:
GBSMVPIXOIBBQU-UHFFFAOYSA-N

ID: 114692

SMILES:
C1C(C(=CCC=C(C)C)C)C(c2c(O)ccc(O)c2Cl)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.898

CB1 binding score: -15.58

InChIKey:
QUUAJJHWRMKPQB-UHFFFAOYSA-N

ID: 114693

SMILES:
c1c(CCC(O)=O)cc(O)c(C2C=C(C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.671

InChIKey:
VNNNSKKZMJZEON-UHFFFAOYSA-N

ID: 114694

SMILES:
C12C(COC(=O)C)(C3(C)CCC(C(C)C)(Oc4cc(CCCCC)cc(O)c34)C1)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -14.776

InChIKey:
CVFOXHBQHLFBSC-UHFFFAOYSA-N

ID: 114695

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -18.558

InChIKey:
RKHICUDNNRTDRS-UHFFFAOYSA-N

ID: 114696

SMILES:
C(c1ccc2c(c1)OC(C(C)(O)C)CCC2=C)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.272

InChIKey:
LOBNLEDOHUBCAY-UHFFFAOYSA-N

ID: 114697

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)CC(C(=C)C)CCC2(C)OC2CCC1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -14.779

InChIKey:
QKWWYZLZZPCZKE-UHFFFAOYSA-N

ID: 114698

SMILES:
C(CCC(=CCc1c(O)cc(CCCCC)cc1OC)C)C(=CCO)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -15.29

InChIKey:
FOCASKVJHXMJAE-UHFFFAOYSA-N

ID: 114699

SMILES:
c12c(cc(CCCCC)cc1OC(C)=O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -19.106

InChIKey:
DEWSJDIJFWQLOA-UHFFFAOYSA-N

ID: 114700

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 114701

SMILES:
C1(C(C)C)C(c2c(CCCCC)cc(O)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.593

InChIKey:
RHRYIQNXICLAPT-UHFFFAOYSA-N

ID: 114702

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -13.116

InChIKey:
YCHPAOVKLROADJ-UHFFFAOYSA-N

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114682–114702 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