Browse

Molecule Identifiers
Molecular Properties

ID: 108340

SMILES:
C(c1c2c(c(C)cc1OC)OC(C)(CCC=C(C)C)C=C2)CCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.842

InChIKey:
FMXWWUWADVTDLN-UHFFFAOYSA-N

ID: 108341

SMILES:
C12(C)Oc3cc(C)cc(O)c3C1C1C(C)(C)OC3C4C(=C(C)C1C32O)CC=C(C)C4

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 408.538

CB1 binding score: -15.221

InChIKey:
CJWVTARQGZNREM-UHFFFAOYSA-N

ID: 108342

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 108343

SMILES:
CC1(CC=C(C)CCC=C(C)C)C(=O)Cc2c(C)cc(O)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.929

InChIKey:
HQDPZSWYRPMIPC-UHFFFAOYSA-N

ID: 108344

SMILES:
C1(C)=CC(c2cc(CCCCC)cc(O)c2)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.107

InChIKey:
AKCTZOKCVCWTGX-UHFFFAOYSA-N

ID: 108345

SMILES:
c1cc(CCCCC)cc2c1OC(C)(C)C1C(=O)CC(C)(O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.672

InChIKey:
OQGCHSPTLNJABL-UHFFFAOYSA-N

ID: 108346

SMILES:
c1c(O)c2c(cc1CCCCC)OC(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: 108347

SMILES:
C(=CC(=CCc1c(O)cc(CCCCC)cc1OC)C)C=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.502

InChIKey:
SSFQFIDRXPCVFV-UHFFFAOYSA-N

ID: 108348

SMILES:
C1(N)C(C)=CC2c3c1c(C)c(CCCCC)cc3OC(C)(C)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 327.512

CB1 binding score: -13.878

InChIKey:
VUOVUXSNZXCQTE-UHFFFAOYSA-N

ID: 108349

SMILES:
O1c2cc(CCC)cc(O)c2C2C1(C)C(C(C)=C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -15.224

InChIKey:
RVEHQCQQFBSWMR-UHFFFAOYSA-N

ID: 108350

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -16.142

InChIKey:
HSAHXMNDLBKJFW-UHFFFAOYSA-N

ID: 108351

SMILES:
c1(O)c2c(cc(O)c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.561

InChIKey:
RRHAEGQFRQNVHT-UHFFFAOYSA-N

ID: 108352

SMILES:
c12c(O)cc(CCCC)cc1OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 108353

SMILES:
CC1=CC(c2c(OC)cc(CCC)cc2OC)C(C(C)=C)C(CC(C)=C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -13.521

InChIKey:
LSAUKBATDBEMPO-UHFFFAOYSA-N

ID: 108354

SMILES:
C(Cc1c(O)cc(O)cc1C1(C)C(=C)CCCC1C)CC(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -12.59

InChIKey:
BPFQISLYQUXCHZ-UHFFFAOYSA-N

ID: 108355

SMILES:
c1(C)cc(O)cc2c1-c1c(cc(CCCCC)cc1O)OC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -15.299

InChIKey:
MMASUNNBAYEPEN-UHFFFAOYSA-N

ID: 108356

SMILES:
C(c1cc(O)c2c(c1C=O)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.482

InChIKey:
CMICSMPYFOVHSH-UHFFFAOYSA-N

ID: 108357

SMILES:
CC1=CC(c2c(O)cc(O)cc2CCCCC)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.593

InChIKey:
RHRYIQNXICLAPT-UHFFFAOYSA-N

ID: 108358

SMILES:
C1(C(C)C)CC(=O)C(O)(C)CC=CC2(C)Oc3c(c(O)cc(CCCCC)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.519

InChIKey:
NAKFJIBVOIMUAZ-UHFFFAOYSA-N

ID: 108359

SMILES:
C(CCCC)c1cc(O)cc2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.63

InChIKey:
LAYHJCJKKWVWTP-UHFFFAOYSA-N

ID: 108360

SMILES:
C1C(C)CCc2c(O)cc(CCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 220.312

CB1 binding score: -15.288

InChIKey:
UASOWZGFFYIVIW-UHFFFAOYSA-N

◀5157515851595160516151625163▶
108340–108360 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