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Molecule Identifiers
Molecular Properties

ID: 44584

SMILES:
C(CC)CCc1ccc2c(c1O)CC(O)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -14.963

InChIKey:
CZYCNXKKMXRYOE-UHFFFAOYSA-N

ID: 44585

SMILES:
C(CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)CC(OC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.689

InChIKey:
WTIISESXJFLOAC-UHFFFAOYSA-N

ID: 44586

SMILES:
O1C(C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2OC(C)=O)C=CC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -15.321

InChIKey:
YXNXIUSWSNWRKF-UHFFFAOYSA-N

ID: 44587

SMILES:
C(c1c(O)c2c(cc1OC)OC(C)(C)C1CC=C(C)CCC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.13

InChIKey:
GWPARFOFIPELON-UHFFFAOYSA-N

ID: 44588

SMILES:
C1=C(C)CC2C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.405

InChIKey:
PBMFFSBQZUDFBS-UHFFFAOYSA-N

ID: 44589

SMILES:
C(=CC(C)=CCc1c(O)cc(CCCC)cc1O)C=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.426

InChIKey:
CYUGHQVIWRBAPV-UHFFFAOYSA-N

ID: 44590

SMILES:
Oc1c(C=O)c(CCCCC)cc2c1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.286

InChIKey:
NQFUEDHWQJVOKZ-UHFFFAOYSA-N

ID: 44591

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.621

InChIKey:
RYMHOYWFINVWEV-UHFFFAOYSA-N

ID: 44592

SMILES:
c1c(O)ccc2c1-c1c(cc(CCC)cc1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.355

CB1 binding score: -16.972

InChIKey:
BCTJEOKZNQNVCJ-UHFFFAOYSA-N

ID: 44593

SMILES:
C1(O)C(C)=CC2C(C(C)(C)Oc3c2c(O)ccc3)CC=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.605

InChIKey:
ZONKRDHSWKPHKR-UHFFFAOYSA-N

ID: 44594

SMILES:
CC1(C)Oc2cc(CCC(=O)C(O)=O)cc(O)c2C2CCC(C)=CCC12C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -14.824

InChIKey:
UXRWDVVEYMQXQL-UHFFFAOYSA-N

ID: 44595

SMILES:
C1C(=C)C2C3C1c1c(cc(CCc4ccccc4)cc1O)OC(C)(C)C3CC2

Pathway: Shikimates and Phenylpropanoids;Terpenoids

Superclass: Meroterpenoids;Stilbenoids

Class: Cannabinoids;Monomeric stilbenes

MW: 374.524

CB1 binding score: -16.015

InChIKey:
UCMRAEBSVYGDDF-UHFFFAOYSA-N

ID: 44596

SMILES:
OC12C(C)=CC(=O)C1=Cc1c(O)cc(CCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.381

CB1 binding score: -14.801

InChIKey:
GEBJCDSNCFHHSK-UHFFFAOYSA-N

ID: 44597

SMILES:
C(=C(C)C)CCC1(C)C=Cc2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 44598

SMILES:
O(C(=O)C1=CCCC2=C1C(C(C)(C)Oc1cccc(CCCCC)c1)CC2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -14.753

InChIKey:
GCTLGDGKBOTUQM-UHFFFAOYSA-N

ID: 44599

SMILES:
C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.487

CB1 binding score: -19.108

InChIKey:
KCGRQTUOQYSEJY-UHFFFAOYSA-N

ID: 44600

SMILES:
C(c1c2c(c(CCCCCC)cc1O)OC(C)(C)C1(C2)CCC(C)=CC1)(OC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.273

InChIKey:
JKQBIGJFSCZRAI-UHFFFAOYSA-N

ID: 44601

SMILES:
CCC(O)CCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.026

InChIKey:
GWSPOZKXWMVVEN-UHFFFAOYSA-N

ID: 44602

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.196

InChIKey:
HQWTZGLRGCSGTB-UHFFFAOYSA-N

ID: 44603

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: 44604

SMILES:
C1(OCC2(C)Oc3cc(CCCCC)cc(O)c3C3C2CC(C)=CC3)OC(CO)C(O)C(O)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.609

CB1 binding score: -15.213

InChIKey:
OXMWTEZVXMTIQH-UHFFFAOYSA-N

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44584–44604 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