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Molecule Identifiers
Molecular Properties

ID: 130558

SMILES:
C1C(O)(C)C(O)Cc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -15.858

InChIKey:
WFEINFRWJIQWRC-UHFFFAOYSA-N

ID: 130559

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 130560

SMILES:
C12C(Oc3cc(CCCCC)cc(O)c3C1C(=O)OC)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.005

InChIKey:
GUNWODJGVGFYNW-UHFFFAOYSA-N

ID: 130561

SMILES:
C1=C(C)C(O)C2c3c(cc(CCCCO)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -14.699

InChIKey:
BWGRBKYRFBITDM-UHFFFAOYSA-N

ID: 130562

SMILES:
Oc1c(CC2C(C)=CCCC2(C)C)c(O)cc(CCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -16.719

InChIKey:
GTJYOQVSPAVDNC-UHFFFAOYSA-N

ID: 130563

SMILES:
O=C(OC1C(CC(C)C)c2c(OC)cc(CCc3ccccc3)cc2OC(C)(C)C1=O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.564

CB1 binding score: -15.249

InChIKey:
WRDPYHWLTAXLIF-UHFFFAOYSA-N

ID: 130564

SMILES:
C(C(C)(C)Br)(CC=C(C)CCC=C(C)C)Oc1cc(CCCCC)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 451.489

CB1 binding score: -13.045

InChIKey:
JYRHPASVBZFIQV-UHFFFAOYSA-N

ID: 130565

SMILES:
OC(C(CC(=O)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -17.123

InChIKey:
RGCNLYPHGJMHSC-UHFFFAOYSA-N

ID: 130566

SMILES:
O1c2c(c(O)c(OC)c(CCCCC)c2)C2C(CC=C2C)C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.139

InChIKey:
PMZLIKAZOHIXAZ-UHFFFAOYSA-N

ID: 130567

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)=C)OC(CCCC(C)(C)O1)C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.453

InChIKey:
FVUDWTZPWDZKPT-UHFFFAOYSA-N

ID: 130568

SMILES:
C1(C(C)C)CC(=O)C(C)C2(C1)c1c(cc(CCCCC)cc1O)OC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.078

InChIKey:
GXTGISIPXMRPMX-UHFFFAOYSA-N

ID: 130569

SMILES:
CC1(CO)C2CC=C(C)CC2c2c(O)c(C(O)=O)c(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -16.502

InChIKey:
UCXHQPJBMWVUJY-UHFFFAOYSA-N

ID: 130570

SMILES:
CC12C(Cc3c(O)cc(CCCCC)cc3O1)C1=C(C(C)C)C(=O)CC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.571

CB1 binding score: -15.663

InChIKey:
BEWWEOPPRGHUND-UHFFFAOYSA-N

ID: 130571

SMILES:
C12C(C)CCC1C(C)(C)Oc1c2c(O)c(O)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.949

InChIKey:
SYRJNHUJOBTODV-UHFFFAOYSA-N

ID: 130572

SMILES:
c12cc(O)c(OC)cc1C(=O)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.445

CB1 binding score: -16.033

InChIKey:
DDJVPCDXRNHMKT-UHFFFAOYSA-N

ID: 130573

SMILES:
CCCCc1cc(O)c(O)c2c1OC(C)(C)C1OC1CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -17.334

InChIKey:
GVHJSSCHEFTQKE-UHFFFAOYSA-N

ID: 130574

SMILES:
C1C(O)CC(C)(C)C2C1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.748

InChIKey:
VZCNVMVFIRXRPA-UHFFFAOYSA-N

ID: 130575

SMILES:
c1(O)cc(CCC)cc2c1C1C(C(C)(C)OO1)CCC(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.169

InChIKey:
YEMNSVKKAUPFPH-UHFFFAOYSA-N

ID: 130576

SMILES:
C(CCc1ccc2c(c1)OC(C)(C)C1C2CC(=C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -18.686

InChIKey:
VXTGXGWMUDOOEO-UHFFFAOYSA-N

ID: 130577

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 130578

SMILES:
C1C(=C)C=C2C(C(C)(C)Oc3cc(CCCCC)cc(OC)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.016

InChIKey:
HEYQSKFCJBOGGK-UHFFFAOYSA-N

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130558–130578 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