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Molecule Identifiers
Molecular Properties

ID: 138580

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.184

InChIKey:
ZKGKOAJUWMGRFB-UHFFFAOYSA-N

ID: 138581

SMILES:
c1(O)cc(C)c2c(c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.76

InChIKey:
QSENNOHYZPYNTR-UHFFFAOYSA-N

ID: 138582

SMILES:
C1(C)(C)C2CC(=O)C(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 138583

SMILES:
O(O)C12C(c3c(cc(CCCCC)cc3O)O1)C(C(C)C)C(=O)CC2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -14.605

InChIKey:
KMFUGDBJIQODKL-UHFFFAOYSA-N

ID: 138584

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC1(C)CCC(C(C)(C)O)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.714

InChIKey:
WHDCWMKMQFXAGU-UHFFFAOYSA-N

ID: 138585

SMILES:
C(c1cc(O)c(O)c(C2C=C(C)CCC2C(=C)C)c1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.42

InChIKey:
JRVGCDJICXJVGC-UHFFFAOYSA-N

ID: 138586

SMILES:
C1(C)(C)Oc2c(ccc(CCCCC)c2)C2C=C(C(O)=O)CC=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.105

InChIKey:
FKONCQJYWQGUOR-UHFFFAOYSA-N

ID: 138587

SMILES:
c1(C)cc(C(O)=O)c(C)c(C2C(C(C)=C)CCC(C)=C2)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.514

InChIKey:
FVQJCHJPDXMAEJ-UHFFFAOYSA-N

ID: 138588

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 138589

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)C(=CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.015

InChIKey:
QUQNBEWGJXBRLQ-UHFFFAOYSA-N

ID: 138590

SMILES:
Oc1c(CC=C(CCC=C(C)C(O)=O)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.907

InChIKey:
MPYHTOIXCDQJOI-UHFFFAOYSA-N

ID: 138591

SMILES:
Oc1c(C2CCC(C)(C=C)O2)c(CC=C(C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.079

InChIKey:
UZHYDVITSZOTFA-UHFFFAOYSA-N

ID: 138592

SMILES:
Oc1cc(C(Oc2cc(CCCCC)cc3c2C2C(O)C(C)(CCC=C(C)C)CCC3(C)C)c(O)c2)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 548.764

CB1 binding score: -15.434

InChIKey:
UVUACLPJFAKZLI-UHFFFAOYSA-N

ID: 138593

SMILES:
C1(C)(C)Oc2c(c(O)cc(CC(O)CC)c2)CC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 266.337

CB1 binding score: -15.418

InChIKey:
OZVDRJXNFWMDON-UHFFFAOYSA-N

ID: 138594

SMILES:
c12c(OC)cc(CCCCC)cc1OC1(C(=C)C)Oc3c(c(C)ccc3)CC1C=CC2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.604

CB1 binding score: -14.605

InChIKey:
MQTPZXWNMSYNSD-UHFFFAOYSA-N

ID: 138595

SMILES:
C1C=C(CCC=C(C)C)CC(c2c(O)cc(CCC)cc2OC)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.126

InChIKey:
LFIUWQXSZWFFEX-UHFFFAOYSA-N

ID: 138596

SMILES:
C12CCC(C)CC1c1c(C)cc(O)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.346

InChIKey:
GGFBUEDIKGICRY-UHFFFAOYSA-N

ID: 138597

SMILES:
C(=C(C)C)CCC1=CCCC(c2c(O)cc(C)cc2O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.09

InChIKey:
MQOBHFQDTPPUBS-UHFFFAOYSA-N

ID: 138598

SMILES:
c1c(O)c(CC=C(C)CCC=C(C)C)c(-c2c(O)cc(CCCCC)cc2O)cc1CC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.701

CB1 binding score: -15.396

InChIKey:
BVWSZTMMORJWLG-UHFFFAOYSA-N

ID: 138599

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 398.587

CB1 binding score: -18.498

InChIKey:
IXCOZTMGSJNGJA-UHFFFAOYSA-N

ID: 138600

SMILES:
c12c(OC)cc(CCCCC)cc1OC1(C)CCCC(O)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.539

InChIKey:
QVTVSKZAKZNGTJ-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties