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Molecule Identifiers
Molecular Properties

ID: 37381

SMILES:
CC12OC1c1c(cc(CCCCC)cc1O)OC1C2C(C(C)C)CC(O)C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -16.61

InChIKey:
LELHOYZVFDFQPY-UHFFFAOYSA-N

ID: 37382

SMILES:
C(CCC1OC(C)(C)C2C1c1c(O)cc(CCCCC)cc1OC2(C)C)C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -13.907

InChIKey:
WMGMPSLKTBTXSO-UHFFFAOYSA-N

ID: 37383

SMILES:
C1(C(=O)C)C2c3c(O)cc(CCCCC)cc3OC(C)(CC2)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -20.035

InChIKey:
KWAZAIUUSCFJNT-UHFFFAOYSA-N

ID: 37384

SMILES:
C(CC)CCCCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.54

CB1 binding score: -17.155

InChIKey:
QQLLKQTYSNYRRU-UHFFFAOYSA-N

ID: 37385

SMILES:
c1c(O)c(C(C)(CCCC(C)C)O)c2c3c1C1C(CCC3C)C(C=O)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -15.369

InChIKey:
LFNXMZKBZZIGNN-UHFFFAOYSA-N

ID: 37386

SMILES:
CC(=CCc1c(CCCCCCC)cc2c(c1O)C1C(C(C)(C)O2)CCC(=C)C1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -13.548

InChIKey:
RFDKRJJKMJDYKX-UHFFFAOYSA-N

ID: 37387

SMILES:
CN(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CCC=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 383.576

CB1 binding score: -13.542

InChIKey:
DYFGKAMLLXNHCY-UHFFFAOYSA-N

ID: 37388

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 37389

SMILES:
c1(O)cc(CCOC)cc(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.237

InChIKey:
VRHBDNKIAYOFPQ-UHFFFAOYSA-N

ID: 37390

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3[CH]21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 37391

SMILES:
CCCCCCc1c(C(=O)O)c(O)c(CC=C(C)C(O)CC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -15.552

InChIKey:
LZYBNHWVUSBODC-UHFFFAOYSA-N

ID: 37392

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(COC(=O)CCCCCCC)CC3C(C1(O)C(C)C)C2(O)OC3(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 556.784

CB1 binding score: -13.926

InChIKey:
KUSWBQWFYUNFPF-UHFFFAOYSA-N

ID: 37393

SMILES:
c1(C(O)CC(C)C)ccc(O)c(C2C=C(C)CCC2C(=C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.558

InChIKey:
QTTFHWJLMCHWQU-UHFFFAOYSA-N

ID: 37394

SMILES:
CC(C)C1CCC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.593

CB1 binding score: -16.54

InChIKey:
IMPVPAVHLVNDBB-UHFFFAOYSA-N

ID: 37395

SMILES:
c1(CCC)cc2c(c(OC)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.342

InChIKey:
MGKYKRZKRZNTQX-UHFFFAOYSA-N

ID: 37396

SMILES:
C(Cc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.069

InChIKey:
CIRXSXGEMCGYEN-UHFFFAOYSA-N

ID: 37397

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C)(CCC3C2(C(OC)=O)CCC(C(C)(O)C)O3)Oc2c(cc(C(O)=O)cc2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 610.744

CB1 binding score: -14.793

InChIKey:
OQGAQQJZVFNYBP-UHFFFAOYSA-N

ID: 37398

SMILES:
C1(c2cc(CCCCC)cc(O)c2)C(C(O)(C)C)CCC(C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -15.929

InChIKey:
YCVLGKHRSMSIFL-UHFFFAOYSA-N

ID: 37399

SMILES:
C1(C)(C)C2(C(=C)C(O)CC1)Oc1c(c(OC)cc(CCC)c1)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.7

InChIKey:
LCMSWEYMRKWVFX-UHFFFAOYSA-N

ID: 37400

SMILES:
COc1cc(CCCCC)cc2c1OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.591

InChIKey:
SXHKEQJANIQGQU-UHFFFAOYSA-N

ID: 37401

SMILES:
c1(OCC)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.335

InChIKey:
BZTZUJRAJUBBQL-UHFFFAOYSA-N

1778177917801781178217831784
37381–37401 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