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Molecule Identifiers
Molecular Properties

ID: 119407

SMILES:
CCCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -16.522

InChIKey:
MFVPLWAEUTVRGF-UHFFFAOYSA-N

ID: 119408

SMILES:
Clc1c2c(ccc1CCCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.915

CB1 binding score: -15.183

InChIKey:
IZLQGWIJXCWIJN-UHFFFAOYSA-N

ID: 119409

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c2cc(CCC)cc3OC)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.431

InChIKey:
ZEAYDZVQUALMHE-UHFFFAOYSA-N

ID: 119410

SMILES:
C1(Oc2cc(CCCCC)cc(O)c2CCC(O)C)CC(=O)CCC1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.564

CB1 binding score: -13.974

InChIKey:
KTNHEGPPLWOSII-UHFFFAOYSA-N

ID: 119411

SMILES:
O(C1(O)c2c(OC)cc(CCCCC)cc2OC1(C)C)C1(C)C2C(C)(C(=CO)C(=O)C2)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.622

CB1 binding score: -14.534

InChIKey:
LTLRCIBGNOBVGA-UHFFFAOYSA-N

ID: 119412

SMILES:
CC(C)C1CCC(C)C1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -16.123

InChIKey:
YDKYBVLDDNULDM-UHFFFAOYSA-N

ID: 119413

SMILES:
C1(C)=CCC(C(CCCC(C)CCCc2ccccc2)=C)C(O)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.508

CB1 binding score: -14.828

InChIKey:
KDSGHRKZBSSWSM-UHFFFAOYSA-N

ID: 119414

SMILES:
C1(C(=C)C)C(c2c(C=O)cc(CCCC)cc2OC)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.284

InChIKey:
PXQAREFLSTYQKK-UHFFFAOYSA-N

ID: 119415

SMILES:
CC(C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC=C(C)C1O)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.046

InChIKey:
IFPGSIRORKZPOA-UHFFFAOYSA-N

ID: 119416

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.801

InChIKey:
NSDOSVJJRXZCDP-UHFFFAOYSA-N

ID: 119417

SMILES:
C(=C(C)CCC=C(C)C)Cc1cc(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -19.381

InChIKey:
ZGUWKQMGZPIDQH-UHFFFAOYSA-N

ID: 119418

SMILES:
C1C(O)C2(C)C(CCC=C2C)Oc2cc(C)c(CCCCC)c(C)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.838

InChIKey:
QMZFPIWEADBMIX-UHFFFAOYSA-N

ID: 119419

SMILES:
C1=C(C)C(O)C(c2c(OC)cc(CCCCC)cc2OC)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.794

InChIKey:
NHHPIBOAUJJWLE-UHFFFAOYSA-N

ID: 119420

SMILES:
C(C(C1CC=C(C)C2Cc3c(O)ccc(c3)C(=O)OC12C)C)C(OC(=O)C)C(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.541

CB1 binding score: -15.519

InChIKey:
RYUWZKNLTZJSHD-UHFFFAOYSA-N

ID: 119421

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC=C(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.892

InChIKey:
WBFVHFCVGUDTNV-UHFFFAOYSA-N

ID: 119422

SMILES:
Oc1cc(CCCCC)cc2c1C1C3(C)CCCC(C)(C)C3CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -17.662

InChIKey:
LVDOCXVOEIPWBZ-UHFFFAOYSA-N

ID: 119423

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 119424

SMILES:
N(C)(CCc1cc2c(c(OC)c1)OC(CCC=C(C)C)(C)C=C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 329.484

CB1 binding score: -15.988

InChIKey:
GWGSPPNCFLKANV-UHFFFAOYSA-N

ID: 119425

SMILES:
C1(=O)c2ccc(CCCC)cc2OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: -15.3

InChIKey:
VQKHTMCEAUETIR-UHFFFAOYSA-N

ID: 119426

SMILES:
CC1(CCC=C(C)C)C(C)C2(C)Oc3cc(C)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.813

InChIKey:
FGMTZLBURSZZQB-UHFFFAOYSA-N

ID: 119427

SMILES:
C1C(C)=CC2C(C(C)(C)Oc3c2c(C)cc(OC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.933

InChIKey:
WOAVEKPXADZQKI-UHFFFAOYSA-N

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119407–119427 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