ITCMDBv1
IngredientID 14967

Cocsuline

C35H34N2O5

Back to Browse

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
14967
Core Entity Id
19801
Source Entity Count
1
Preferred Name
Cocsuline
Name En
Pubchem Id
21579625
Smiles Canonical
CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)O)OC
Molecular Formula
C35H34N2O5
Molecular Weight
562.6660
Inchikey
GOYCVNCWKXBQBF-SVBPBHIXSA-N
Inchi
InChI=1S/C35H34N2O5/c1-36-12-10-22-17-30-31-19-25(22)26(36)15-21-6-9-28(38)29(16-21)40-24-7-4-20(5-8-24)14-27-33-23(11-13-37(27)2)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,38H,10-15H2,1-3H3/t26-,27-/m0/s1
Isomeric Smiles
CN1CCC2=CC(=C3C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@H]7C8=CC(=C(O3)C=C8CCN7C)O4)O)OC
Cas Id
Ob Score
Mol Logp
6.9479
Num H Donors
1
Num H Acceptors
7
Num Rotatable Bonds
1
Drug Likeness
0.2370
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Cocsuline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cocsuline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cocsuline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cocsuline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-cocsuline
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-cocsuline
Role
alias
Source
HERB_v2
Preferred
No
Name
(1'S)-6',7-Oxy-6-methoxy-2,2'-dimethyloxyacanthan-12'-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1'S)-6',7-Oxy-6-methoxy-2,2'-dimethyloxyacanthan-12'-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(8S,21S)-27-methoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(8S,21S)-27-methoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
26279-88-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
26279-88-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL447886
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL447886
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cocsulin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cocsulin
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30180905
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30180905
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyacanthan-12'-ol, 6',7-epoxy-6-methoxy-2,2'-dimethyl-, (1'alpha)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxyacanthan-12'-ol, 6',7-epoxy-6-methoxy-2,2'-dimethyl-, (1'alpha)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL16251978
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL16251978
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(+)-cocsuline(1'S)-6',7-Oxy-6-methoxy-2,2'-dimethyloxyacanthan-12'-ol(8S,21S)-27-methoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol26279-88-9CHEMBL447886CocsulinDTXSID30180905Oxyacanthan-12'-ol, 6',7-epoxy-6-methoxy-2,2'-dimethyl-, (1'alpha)-SCHEMBL16251978

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN021211
Npass
NPC274716
Tcmid
3882
Pub Chem
21579625
Tcmbank
TCMBANKIN011840
Etcm Ingredient
Cocsuline
Itcmdb Generated
ITX-INGREDIENT-8498D4FD65FC

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C35H34N2O5/c1-36-12-10-22-17-30-31-19-25(22)26(36)15-21-6-9-28(38)29(16-21)40-24-7-4-20(5-8-24)14-27-33-23(11-13-37(27)2)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,38H,10-15H2,1-3H3/t26-,27-/m0/s1
Mol Wt
562.6660000000004
Smiles
CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)O)OC
Mol Log P
6.94790000000001
In Ch Ikey
GOYCVNCWKXBQBF-SVBPBHIXSA-N
Num Hdonors
1
Drug Likeness
0.237
Num Hacceptors
7
Isomeric Smiles
CN1CCC2=CC(=C3C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@H]7C8=CC(=C(O3)C=C8CCN7C)O4)O)OC
Canonical Smiles
CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7C)O4)O)OC
Herb Alias Names
26279-88-9Oxyacanthan-12'-ol, 6',7-epoxy-6-methoxy-2,2'-dimethyl-, (1'alpha)-(8S,21S)-27-methoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-olCocsulin(+)-cocsulineCHEMBL447886SCHEMBL16251978DTXSID30180905(1'S)-6',7-Oxy-6-methoxy-2,2'-dimethyloxyacanthan-12'-ol
Molecular Weight
562.250
Molecular Weight
562.7 g/mol
Molecular Formula
C35H34N2O5
Molecular Formula
C35H34N2O5
Molecular Formula
C35H34N2O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.974
Quantitative Estimate Of Drug Likeness（Qed）
0.237