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Molecule Identifiers
Molecular Properties

ID: 74614

SMILES:
Cc1c(-c2c(O)c(Cl)cc(Cl)c2O)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 435.347

CB1 binding score: -12.04

InChIKey:
SIJHMXRMNFNDIO-UHFFFAOYSA-N

ID: 74615

SMILES:
C1CC(O)(C)C2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.762

InChIKey:
ICMJYQRNULRNTK-UHFFFAOYSA-N

ID: 74616

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 74617

SMILES:
C1(CC=C(CO)C)(C(=O)OC)c2c(cc(CCCCC)cc2O)OC(C)(C)C1CCC(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.639

CB1 binding score: -13.346

InChIKey:
HKPAIIPPJJYJFU-UHFFFAOYSA-N

ID: 74618

SMILES:
O1C2(C(=O)O)CCCC12c1c(O)c(C(=O)CCCCC)cc2c1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.59

CB1 binding score: -12.392

InChIKey:
YVIKINBYIZLSTL-UHFFFAOYSA-N

ID: 74619

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2C(=O)C(C)C1OC1C(O)C(O)C(OC)C(C)O1)CC(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.609

CB1 binding score: -14.04

InChIKey:
PVPQDUOMMOSZMT-UHFFFAOYSA-N

ID: 74620

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.165

InChIKey:
XOMYDTHLVZROIC-UHFFFAOYSA-N

ID: 74621

SMILES:
C1(=O)C(C)=CCCC(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -17.707

InChIKey:
TUVXLBCCLPMXFE-UHFFFAOYSA-N

ID: 74622

SMILES:
C1(C(C)C)=CC2(O)C(C)(Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.518

InChIKey:
BKBSLCULOKNKCF-UHFFFAOYSA-N

ID: 74623

SMILES:
O1C2C1c1c(O)cc(CCCCC)cc1OC(CCC=C(C)C)(C)C2CCC(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.121

InChIKey:
IJWFNKGYORYLOB-UHFFFAOYSA-N

ID: 74624

SMILES:
O=C(C)CC1(C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.35

InChIKey:
LERVIPQDMOONMD-UHFFFAOYSA-N

ID: 74625

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CCC(CO)=C1)C(C)(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.502

InChIKey:
NZTGCMGBFHTZOC-UHFFFAOYSA-N

ID: 74626

SMILES:
c12c(cc(CC=C)cc1)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.4

CB1 binding score: -18.687

InChIKey:
SZPUKLBOZDFLAF-UHFFFAOYSA-N

ID: 74627

SMILES:
C1CC(C)C2CC=C(C)C3(O)CC(C(C)=C)(Oc4cc(CCCCC)cc(c43)O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -15.811

InChIKey:
CPYQHVFIXVNGNM-UHFFFAOYSA-N

ID: 74628

SMILES:
C1CC2(C)Oc3c(c(O)cc(CCCC)c3)C(O)C2C(C)(CCC=C(C)C)C1C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -15.617

InChIKey:
ASCWPVBBTYCXNT-UHFFFAOYSA-N

ID: 74629

SMILES:
O1c2c(c(O)cc(C)c2)C(CCCC(C)(OC)C)C2C1C(C)(O)CCC2C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.591

CB1 binding score: -16.646

InChIKey:
XKPIUIRQXFNPBE-UHFFFAOYSA-N

ID: 74630

SMILES:
C=C1CCC(C(OC)(C)C)CC12Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.865

InChIKey:
SVRWWYSOBCEWPS-UHFFFAOYSA-N

ID: 74631

SMILES:
c12c(c(OC(C)=O)ccc1O)cc(O)cc2CC1C(C)(OCC)CCC2=C1CCC(C)(C=CC=C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 520.666

CB1 binding score: -15.454

InChIKey:
CCKHKMYGWCOPDY-UHFFFAOYSA-N

ID: 74632

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.892

InChIKey:
YCSIDAUWCFLSQK-UHFFFAOYSA-N

ID: 74633

SMILES:
c1(CCCCC)cc(O)c2c3c1OC(C)(C)C1CCC(C)(CC21)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.619

InChIKey:
FNHDWMYYUHOFIY-UHFFFAOYSA-N

ID: 74634

SMILES:
CC(C)CC(CC(CCCC(C)C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.738

CB1 binding score: Not available

InChIKey:
VZSOXCSBWJLVMF-UHFFFAOYSA-N

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74614–74634 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