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Molecule Identifiers
Molecular Properties

ID: 31921

SMILES:
C12(C)CCC(C(=C)C(O)=O)CC1c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.968

InChIKey:
RDZPSHIIDMUUPS-UHFFFAOYSA-N

ID: 31922

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 31923

SMILES:
C12C(C(=CC(O)C=C(C)C)C)CCC1(C)Oc1c(c(O)cc(CCCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -14.644

InChIKey:
YXQNDFVNRCDAHI-UHFFFAOYSA-N

ID: 31924

SMILES:
OC(c1c2c(c(O)cc1CCC(C)(C=CC=C(C)C)O)OC(C)(C)C1C2C=C(C)C(O)C1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.579

CB1 binding score: -14.847

InChIKey:
LOVJXGCSBUWOPO-UHFFFAOYSA-N

ID: 31925

SMILES:
C12(c3c(O)cc(CCCCC)cc3OC1(C)C)C1C(C)(O2)C2CC(C(C)(C)O)CCC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.694

CB1 binding score: -15.077

InChIKey:
CZVLRLFXPNIDMV-UHFFFAOYSA-N

ID: 31926

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCCC)cc1O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 31927

SMILES:
c12c(c(O)cc(CCCCC)c1)-C(C(=C)CCC=C(C=O)C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -13.338

InChIKey:
RFQPCOJHAQUXIV-UHFFFAOYSA-N

ID: 31928

SMILES:
CC(C)(O)C=CCC(C)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.579

InChIKey:
CJLAIIYOHPCHDP-UHFFFAOYSA-N

ID: 31929

SMILES:
C1C(C)CC(O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.876

InChIKey:
LVNFKVCNQYPBTD-UHFFFAOYSA-N

ID: 31930

SMILES:
C(CC(C)=CCc1cc(O)cc(C)c1O)CC(C(O)=O)CCC1(C)C(C)C(=O)CC=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.596

CB1 binding score: -15.055

InChIKey:
AEJWXUXUQJWLFV-UHFFFAOYSA-N

ID: 31931

SMILES:
c1(CCc2ccccc2)cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -15.421

InChIKey:
AYJJQBKRSBYMML-UHFFFAOYSA-N

ID: 31932

SMILES:
C1(=C)CCC(C(C)=C)C(c2c(O)cc(CCCCC)c(O)c2)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -12.131

InChIKey:
SERGWMDVRFGRNE-UHFFFAOYSA-N

ID: 31933

SMILES:
c1(O)cc(CC)cc2c1C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.585

InChIKey:
DNTBFILTGOCICF-UHFFFAOYSA-N

ID: 31934

SMILES:
O=C(C)OC1CC(C)C2(O)Oc3c(c(O)cc(CCCCC)c3)C3(C)CCCC1(C)C23

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -15.552

InChIKey:
QEZADAJAWSWTAI-UHFFFAOYSA-N

ID: 31935

SMILES:
C(C1CC(C(=C)C)C(c2c(O)cc(CCCCCO)cc2OC)C=C1C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -14.87

InChIKey:
PHQJXPJLETXEIO-UHFFFAOYSA-N

ID: 31936

SMILES:
C1(C)(C)Oc2cc(C)c(OC)cc2C2CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: -18.539

InChIKey:
HKMXBQRXEVSGLW-UHFFFAOYSA-N

ID: 31937

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)=C)CCC(C)(CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.479

InChIKey:
QFXVVLMSNANAAV-UHFFFAOYSA-N

ID: 31938

SMILES:
Cc1c(C=O)c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.241

InChIKey:
ZRENVVUZARSAET-UHFFFAOYSA-N

ID: 31939

SMILES:
C1CC=C(C)C(C)(CCC(C)=CCc2c(O)cc(CCCCC)cc2O)C1=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -13.363

InChIKey:
JMEUSWVYIVUHKO-UHFFFAOYSA-N

ID: 31940

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 31941

SMILES:
CC(C(=O)O)C1Oc2c(c(O)cc(C)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -15.872

InChIKey:
NORVNODCLXSNHO-UHFFFAOYSA-N

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31921–31941 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