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Molecule Identifiers
Molecular Properties

ID: 64534

SMILES:
c12c(O)cc(CCCCC)cc1OC1(C)C2=CC(C)(C)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -18.002

InChIKey:
XKOWBRFWDBGRJX-UHFFFAOYSA-N

ID: 64535

SMILES:
CC1(C)C2C(=O)C(O)(Oc3cc(CCCCC)cc(O)c31)C(C)(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -13.522

InChIKey:
VKFOQGGHGZUKJH-UHFFFAOYSA-N

ID: 64536

SMILES:
CC(Oc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(O)C21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -15.806

InChIKey:
FMTXKWPSFWPRRT-UHFFFAOYSA-N

ID: 64537

SMILES:
C(Cc1cc(O)c(CC=C(C)CC=CC(C)(C)O)c(O)c1)CC(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -16.124

InChIKey:
WPEFWVLMDLYMRD-UHFFFAOYSA-N

ID: 64538

SMILES:
C12C(CCC(O)C1(CO)O)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.374

CB1 binding score: -14.231

InChIKey:
HELYQKMTWODMTM-UHFFFAOYSA-N

ID: 64539

SMILES:
c1(O)c2c(cc(C)c1)OC(CCC1C(C)(C)O1)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -19.337

InChIKey:
CPBHEJIKHIHMDY-UHFFFAOYSA-N

ID: 64540

SMILES:
C1(C)C2C(OC1=O)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.62

InChIKey:
SLTSBXBXUZQBNC-UHFFFAOYSA-N

ID: 64541

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)(CC(=O)C=C(C)C1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.036

InChIKey:
OHXUHPWZARCROX-UHFFFAOYSA-N

ID: 64542

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.27

InChIKey:
WPJGAEFIBVPIDI-UHFFFAOYSA-N

ID: 64543

SMILES:
C(CC1C(=O)C(C=C(CCC=C(C)C)C)Oc2c1c(O)cc(CCCCC)c2)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -13.17

InChIKey:
ZTNUTJLWOCXNKX-UHFFFAOYSA-N

ID: 64544

SMILES:
CC1=CCCC(C)=CCC2C(C)(C)Oc3cc(C(C)C)c(O)c(O)c3C2=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -14.672

InChIKey:
KMCJQHZQRKFIIR-UHFFFAOYSA-N

ID: 64545

SMILES:
CC(C)C1CC2C(CC(O)C2O)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.317

InChIKey:
RPUXKXVSWPLOOQ-UHFFFAOYSA-N

ID: 64546

SMILES:
C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.585

InChIKey:
DNTBFILTGOCICF-UHFFFAOYSA-N

ID: 64547

SMILES:
c1c(C=O)c(O)c(C2C=C(C)CCC2C(=C)C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -17.031

InChIKey:
KUAUKXUQMYYXGE-UHFFFAOYSA-N

ID: 64548

SMILES:
c1c(C2C=C(C)CCC2C(=C)C)c(O)c(C=O)c(O)c1C(CCCCC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.144

InChIKey:
PGOZSTHDDRHNHA-UHFFFAOYSA-N

ID: 64549

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.944

InChIKey:
PXPDKUHGJIMKBA-UHFFFAOYSA-N

ID: 64550

SMILES:
CC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 64551

SMILES:
C(CC(C)=CCCC1(C)C=Cc2c(cc(CCCCC)c(C(=O)O)c2O)O1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -17.872

InChIKey:
PIWDPVFUVKGKSR-UHFFFAOYSA-N

ID: 64552

SMILES:
c1(CCC)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c2c1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -14.581

InChIKey:
ZWAZZXQGXNZSMJ-UHFFFAOYSA-N

ID: 64553

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -13.836

InChIKey:
GNMNPKBJJHWIAX-UHFFFAOYSA-N

ID: 64554

SMILES:
C1(C)(C)Oc2c(C(O)=O)c(CCCCC)cc(O)c2C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -17.796

InChIKey:
JRDXSDYHHLODOB-UHFFFAOYSA-N

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64534–64554 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