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Molecule Identifiers
Molecular Properties

ID: 108739

SMILES:
C(CCC1(C)C=Cc2c(O)cc(C)cc2O1)C1(C)OC1CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -13.579

InChIKey:
LJLUYWWAXBOWNM-UHFFFAOYSA-N

ID: 108740

SMILES:
C(c1cc(OC)c2c(c1)OC(C)(CCC=C(C)C)C=C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.943

InChIKey:
IHCHHIFCWLCTCL-UHFFFAOYSA-N

ID: 108741

SMILES:
C(c1c(O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.141

InChIKey:
PVBOGJXOJHDVID-UHFFFAOYSA-N

ID: 108742

SMILES:
C(C)(C1CCC(C)=CC1c1c(OC)cc(CCCCC)cc1OC)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -18.048

InChIKey:
BPBVKKLBDPQQIJ-UHFFFAOYSA-N

ID: 108743

SMILES:
c1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCN(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 299.458

CB1 binding score: -16.653

InChIKey:
BWFYWNBXDAQNNZ-UHFFFAOYSA-N

ID: 108744

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC[N+](C)(C)C)cc2)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.59

CB1 binding score: -15.784

InChIKey:
GZDXNOYOVHWRRL-UHFFFAOYSA-O

ID: 108745

SMILES:
C1(C)(C)C2=CCC(C)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.797

InChIKey:
UQOUHXDCXBITSF-UHFFFAOYSA-N

ID: 108746

SMILES:
C12(C)C(C(C)C)CC=C1CCC(C)(OO)C1CCC(C)(Oc3cc(CCCCC)cc(O)c31)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.694

CB1 binding score: -13.959

InChIKey:
UKTYPBUPIXMOAT-UHFFFAOYSA-N

ID: 108747

SMILES:
C(C)(C)=CCCC1(C)C(O)Cc2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.686

InChIKey:
LLPMAUMTANBRBH-UHFFFAOYSA-N

ID: 108748

SMILES:
CC1(C)Oc2c(cc(C(=O)OC)cc2CCCCC)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -12.98

InChIKey:
RGZYCRGUQQOQIF-UHFFFAOYSA-N

ID: 108749

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 108750

SMILES:
C(c1c(O)c(C2C=C(C)CCC2C(C)=C)c(OC)cc1C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.534

InChIKey:
JOFWQPDFHJHJGH-UHFFFAOYSA-N

ID: 108751

SMILES:
c1(C(=O)OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.274

InChIKey:
FFVNGRDCNISYKE-UHFFFAOYSA-N

ID: 108752

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 108753

SMILES:
C1CCC(C)CC2C1(O)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.929

InChIKey:
JIMDVWHMLYDZAL-UHFFFAOYSA-N

ID: 108754

SMILES:
CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 108755

SMILES:
C(CC)CCc1cc(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: 108756

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C=C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: -17.978

InChIKey:
CHBXMMKWGIOKEK-UHFFFAOYSA-N

ID: 108757

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCCC)cc2O)C(C(=C)C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -16.537

InChIKey:
DQRSULNYZMQIBW-UHFFFAOYSA-N

ID: 108758

SMILES:
c12c(cc(CCCCC)cc1OC)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.06

InChIKey:
KSDSETBZUIJIFF-UHFFFAOYSA-N

ID: 108759

SMILES:
C1(O)=C(C)CC2C(C1)c1c(cc(C)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.12

InChIKey:
HHHMKDKEPIVPAQ-UHFFFAOYSA-N

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108739–108759 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