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Molecule Identifiers
Molecular Properties

ID: 101557

SMILES:
c1(CC)cc(O)cc(C2C=C(C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -16.125

InChIKey:
OGXLMSMLAZTIDR-UHFFFAOYSA-N

ID: 101558

SMILES:
C(CCCCc1cc2c(c(O)c1)C1=CC(=C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -19.131

InChIKey:
FWJYXILFWARSSI-UHFFFAOYSA-N

ID: 101559

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -12.85

InChIKey:
GYFKGLYLUZBOJW-UHFFFAOYSA-N

ID: 101560

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 101561

SMILES:
O1C2(C)CCC1C(C)(C)Oc1c2c(=O)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.098

InChIKey:
NSWYTJDNDVARFW-UHFFFAOYSA-N

ID: 101562

SMILES:
c1(OC)c(O)cc2c(c1CC=C(C)C)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.198

InChIKey:
HSEMYCMUNXOLPM-UHFFFAOYSA-N

ID: 101563

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.945

InChIKey:
BMHWBDFIQAZUEO-UHFFFAOYSA-N

ID: 101564

SMILES:
C1(C(C)C)CCC(CO)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.736

InChIKey:
HIYKJGLSDHNPTF-UHFFFAOYSA-N

ID: 101565

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 101566

SMILES:
CCc1cc(O)c(C2C=C(C)CCC2(CC=C(C)CCC=C(C)C)C(O)=O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -14.434

InChIKey:
LXNZHOJKVFVAOU-UHFFFAOYSA-N

ID: 101567

SMILES:
c12c(O)cc(C(C)C(CC(C)C)=O)c(O)c1C1(C(C(C)=C)CCC(C)=C1)CC(=O)C2CC(=O)OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.617

CB1 binding score: -16.246

InChIKey:
KUQBUVZIMHVUST-UHFFFAOYSA-N

ID: 101568

SMILES:
c1(CCCCC)c(C2C(C(C)=C)CC(=O)O2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.502

InChIKey:
UEPVPYAAXPFACZ-UHFFFAOYSA-N

ID: 101569

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.808

InChIKey:
NHYIVRRSVRALIF-UHFFFAOYSA-N

ID: 101570

SMILES:
C1(C)=CC2C(C(C)(C)Oc3cc(CCCCCCC)cc(OC)c32)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.339

InChIKey:
YCSKGJCEAHMTCC-UHFFFAOYSA-N

ID: 101571

SMILES:
c1c(O)c2c(cc1CCCC)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -20.193

InChIKey:
JBVDVYKKJWEHPH-UHFFFAOYSA-N

ID: 101572

SMILES:
c1(OC)cc(CCC2=CCCC(C(C)=C)CC2C(O)(C)C)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.194

InChIKey:
JQQGYKKVMSFAGY-UHFFFAOYSA-N

ID: 101573

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 101574

SMILES:
Cc1ccc(O)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.367

InChIKey:
STRPUVOZZPWHTP-UHFFFAOYSA-N

ID: 101575

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 101576

SMILES:
C(C)(C)=CCCC(=CCc1c(O)cc(CC=C(CCC=C(C)C)C)c(O)c1C(=O)OCCc1ccccc1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.749

CB1 binding score: -12.315

InChIKey:
UYQDGLOTKOKGAA-UHFFFAOYSA-N

ID: 101577

SMILES:
O(C(C1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1)=O)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.412

InChIKey:
CXWIWVWXXQRHFL-UHFFFAOYSA-N

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101557–101577 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