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Molecule Identifiers
Molecular Properties

ID: 81565

SMILES:
C(=CC=C(C)C)C(C)=CC1Oc2c(c(O)cc(CCC)c2)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.113

InChIKey:
ZVBZJPULSUDNEI-UHFFFAOYSA-N

ID: 81566

SMILES:
C1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.783

InChIKey:
KPTGTVLDBMVBEX-UHFFFAOYSA-N

ID: 81567

SMILES:
O1c2c(O)cc(O)cc2C2CC(C)=CCC2C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.624

InChIKey:
ZZWZWPVQXHMOQM-UHFFFAOYSA-N

ID: 81568

SMILES:
CC1(C)Oc2c(c(O)c(C(=O)CCCCC)c(CCCCC)c2)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.388

InChIKey:
YXTLAEWKSAVLGX-UHFFFAOYSA-N

ID: 81569

SMILES:
COc1c(C2C=C(C)CCC2=C)ccc(CCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -15.634

InChIKey:
GFLBSFMYPYZMNB-UHFFFAOYSA-N

ID: 81570

SMILES:
C(CCCc1cc(OC(C)=O)c(CC=C(C)CCC=C(C)C)c(OC)c1)CC1C2C(CCC1(O)C)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 540.785

CB1 binding score: -15.333

InChIKey:
VTIYDHDUJWNILN-UHFFFAOYSA-N

ID: 81571

SMILES:
C(CCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.108

InChIKey:
ZGBQEDOWMCTLSJ-UHFFFAOYSA-N

ID: 81572

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 81573

SMILES:
C(O)(=O)c1c(C(C(O)=O)CCCC)cc(O)c(C2C=C(C)CCC2C(=C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -13.424

InChIKey:
KFXXJBCWINFPFA-UHFFFAOYSA-N

ID: 81574

SMILES:
C1C(CCC=C(C)C)=CC(c2c(O)ccc(O)c2)C(C(=C)C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.092

InChIKey:
NBHINHCWPVCQHH-UHFFFAOYSA-N

ID: 81575

SMILES:
C1(C=CC=C(C)C)(C)C=Cc2c(O)c(C(=O)O)c(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -15.192

InChIKey:
YEEJWZCEOHTQTC-UHFFFAOYSA-N

ID: 81576

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 81577

SMILES:
C12=C(c3c(OC)cc(CCCCC)cc3OC1(C)C)CC(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -14.768

InChIKey:
BKDVTYYKASRMDR-UHFFFAOYSA-N

ID: 81578

SMILES:
C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)c1c2c(O)c(CC=C(C)CCC=C(C)C)c(OC)cc2oc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 556.743

CB1 binding score: -13.381

InChIKey:
SHFIXFZWUUVKSA-UHFFFAOYSA-N

ID: 81579

SMILES:
c1(CCCCC)cc(O)cc(O)c1-c1cc(OC)c2c(c1C=O)OC(C)(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -14.524

InChIKey:
DWCZEYDORXBBGN-UHFFFAOYSA-N

ID: 81580

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 81581

SMILES:
O(C)c1cc(C)cc(O)c1C1C(C(C)=C)CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.904

InChIKey:
MFTIGZVFLNFTJA-UHFFFAOYSA-N

ID: 81582

SMILES:
C(=CCCC(=CCc1c(O)cc(CCC)c(C(O)=O)c1O)C)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 81583

SMILES:
O=C1OC2OC(C(=C)C)C=CC2C1CCC(O)(C)C=CCC(C)=CCc1c(O)c(C)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.59

CB1 binding score: -5.237

InChIKey:
MXMHJZPOZKPVSN-UHFFFAOYSA-N

ID: 81584

SMILES:
Oc1cc(CCC)cc2c1C1C(CC2)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -16.114

InChIKey:
RACGHMZSDQVFDO-UHFFFAOYSA-N

ID: 81585

SMILES:
C(C)(C)=CCc1c(O)c2c(cc1C)OC(C)(C)C1CC=C(C(O)=O)CCC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -15.562

InChIKey:
PFODSIXJSADWCD-UHFFFAOYSA-N

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81565–81585 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