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Molecule Identifiers
Molecular Properties

ID: 65605

SMILES:
C(CCCC)Cc1cc2c(c(OC)c1)C1C(C(C)(C)O2)CCc2ccoc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.018

InChIKey:
DLMDFDXEUORZQG-UHFFFAOYSA-N

ID: 65606

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.387

InChIKey:
WZNHMUDQWIZILX-UHFFFAOYSA-N

ID: 65607

SMILES:
C1C2C(C)(CO)C=C(C)C(C2)c2c1c(CC=C(C)CCC=C(C)C)c(CCCCC)o2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -15.439

InChIKey:
QVQMKZAWXUZIDB-UHFFFAOYSA-N

ID: 65608

SMILES:
C1(c2c(CCCCC)cc(O)cc2O)C(C(C)=C)CC(O)C(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.595

InChIKey:
CFIONIAAGCUSQL-UHFFFAOYSA-N

ID: 65609

SMILES:
OC1CC(C)=CC2C(C(C)(C)Oc3c(c(O)cc(C)c3)C2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.676

InChIKey:
LVWGQDHHOQKQKW-UHFFFAOYSA-N

ID: 65610

SMILES:
COc1c(OC)cc2c(c1C)-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -16.95

InChIKey:
IGVSRYGEBNYYCN-UHFFFAOYSA-N

ID: 65611

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(C)(O)CCC1(C=C(C)C)CC=C(CCC=C(C)C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.733

CB1 binding score: -14.92

InChIKey:
RMGYVOVPJFHMSN-UHFFFAOYSA-N

ID: 65612

SMILES:
OC1(C)CC2(O)C(C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -14.635

InChIKey:
HDMAJWJNIIQZPM-UHFFFAOYSA-N

ID: 65613

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.306

InChIKey:
SCWSGMRHTABSRY-UHFFFAOYSA-N

ID: 65614

SMILES:
C(CC(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -18.334

InChIKey:
CWBURYSCYOFBMB-UHFFFAOYSA-N

ID: 65615

SMILES:
C(CC(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1)C)CC(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.98

InChIKey:
OPVFELNTIBTHPH-UHFFFAOYSA-N

ID: 65616

SMILES:
c1c(C2C(C(=C)C)C(c3c(OC)ccc(CCN(C)C)c3)CC(C)=C2)cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 389.583

CB1 binding score: -16.249

InChIKey:
DREAUBDJYUVJLP-UHFFFAOYSA-N

ID: 65617

SMILES:
C(c1cc(OC)c(C2C(C(C)=C)CC=C(C)C2)c(O)c1)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.935

InChIKey:
PAZQHAUPAYJYJQ-UHFFFAOYSA-N

ID: 65618

SMILES:
C(CCC(C)=CCCC1(C)Oc2c(cc(OC(=O)C)cc2C)C=C1C)C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -17.165

InChIKey:
KIXNMEXIYSDOIX-UHFFFAOYSA-N

ID: 65619

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.891

InChIKey:
JFJAMLJGMDJCRJ-UHFFFAOYSA-N

ID: 65620

SMILES:
c1(C)c(O)c(OC2C(C)C(C)(CCCC(C)C)Oc3c(C)cc(OC)cc32)c2c(c1)OC(C)(C)C1CCC(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Prenyl quinone meroterpenoids

MW: 564.807

CB1 binding score: -15.347

InChIKey:
BHUSWPTTZRTOPF-UHFFFAOYSA-N

ID: 65621

SMILES:
C1(C(C)=C)C=CC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.676

InChIKey:
ZAMUMCRWNSABLG-UHFFFAOYSA-N

ID: 65622

SMILES:
C1C(C)=CC(c2c(O)cc(O)cc2O)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 65623

SMILES:
C(O)(C12c3cc(ccc3C(OC)=O)OC(C)(C)C1CCC(C)=C2)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.38

CB1 binding score: -13.394

InChIKey:
ORJZLADWBKRQMD-UHFFFAOYSA-N

ID: 65624

SMILES:
C(CC)OC1=C2C(CCC1(O)C)C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.943

InChIKey:
MTYOQIQHFYAVOO-UHFFFAOYSA-N

ID: 65625

SMILES:
CCCCCc1cc2c(c(O)c1)C1C=C(C)C(O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

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65605–65625 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