ITCMDBv1
IngredientID 14077

Cepharanthine

C37H38N2O6

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Relationship Network

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

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Trial: 1Experiment: 1Herb: 6Ingredient: 1Reference: 7Target: 12Links: 27
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
14077
Core Entity Id
18815
Source Entity Count
1
Preferred Name
Cepharanthine
Name En
Pubchem Id
10206
Smiles Canonical
CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Molecular Formula
C37H38N2O6
Molecular Weight
606.7190
Inchikey
YVPXVXANRNDGTA-WDYNHAJCSA-N
Inchi
InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
Isomeric Smiles
CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Cas Id
481-49-2
Ob Score
77.4177
Mol Logp
6.8739
Num H Donors
0
Num H Acceptors
8
Num Rotatable Bonds
2
Drug Likeness
0.2450
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Cepharanthine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cepharanthine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cepharanthine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cepharanthine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cepharanthine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Cepharanthine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Cepharanthine
Role
alias
Source
HERB_v2
Preferred
No
Name
22,33-DIMETHOXY-13,28-DIMETHYL-2,5,7,20-TETRAOXA-13,28-DIAZAOCTACYCLO[25.6.2.2(1)?,(1)?.1(3),(1)?.1(2)(1),(2)?.0?,?.0(3)(1),(3)?.0(1)?,(3)?]NONATRIACONTA-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-DODECAENE
Role
alias
Source
TCMBank
Preferred
No
Name
22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene(non-preferred name)
Role
alias
Source
TCMBank
Preferred
No
Name
481-49-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
481-49-2
Role
alias
Source
HERB_v2
Preferred
No
Name
6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan
Role
alias
Source
HERB_v2
Preferred
No
Name
6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methoxy-3,4'-(methylene(2-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1,7-diyl)oxy(2-methyl-6,7-(epoxymethanoxy)-1,2,3,4-tetrahydroisoquinoline-8,1-diyl)methylene)(1,1'-oxybisbenzene)
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L7HHO
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q70ZF
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 6539
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 6539
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1473842
Role
alias
Source
TCMBank
Preferred
No
Name
Cepharanthin
Role
alias
Source
HERB_v2
Preferred
No
Name
Cepharanthin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cepharanthine (TN)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cepharanthine (TN)
Role
alias
Source
HERB_v2
Preferred
No
Name
Cepharanthine [JAN]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cepharanthine [JAN]
Role
alias
Source
HERB_v2
Preferred
No
Name
Cepharantin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cepharantin
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS3370G06
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-9714795096
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095194-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095194-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095194-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095194-04
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-623442
Role
alias
Source
TCMBank
Preferred
No
Name
O-Methylcepharanoline
Role
alias
Source
HERB_v2
Preferred
No
Name
O-Methylcepharanoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxyacanthan,12'-dimethoxy-2,2'-dimethyl-6,7- [methylenebis(oxy)]-
Role
alias
Source
TCMBank
Preferred
No
Name
台湾千金藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN QIAN JIN TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sasak Stephania*
Role
TCM_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(+)-Cepharanthine22,33-DIMETHOXY-13,28-DIMETHYL-2,5,7,20-TETRAOXA-13,28-DIAZAOCTACYCLO[25.6.2.2(1)?,(1)?.1(3),(1)?.1(2)(1),(2)?.0?,?.0(3)(1),(3)?.0(1)?,(3)?]NONATRIACONTA-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-DODECAENE22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene(non-preferred name)481-49-26',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan6-Methoxy-3,4'-(methylene(2-methyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1,7-diyl)oxy(2-methyl-6,7-(epoxymethanoxy)-1,2,3,4-tetrahydroisoquinoline-8,1-diyl)methylene)(1,1'-oxybisbenzene)AC1L7HHOAC1Q70ZFCCRIS 6539CHEMBL1473842CepharanthinCepharanthine (TN)Cepharanthine [JAN]CepharantinHMS3370G06MCULE-9714795096NCGC00095194-01NCGC00095194-02NCGC00095194-03NCGC00095194-04NSC-623442O-MethylcepharanolineOxyacanthan,12'-dimethoxy-2,2'-dimethyl-6,7- [methylenebis(oxy)]-台湾千金藤TAI WAN QIAN JIN TENGSasak Stephania*

Cross References

Trusted external identifiers retained for this final record.

Cas
481-49-2
Herb
HBIN020124
Npass
NPC73492
Tcmid
3412
Tcmsp
MOL006973
Sym Map
SMIT00671
Tcm Id
245575813
Pub Chem
10206
Tcmbank
TCMBANKIN000049TCMBANKIN054541
Etcm Ingredient
Cepharanthine
Itcmdb Generated
ITX-INGREDIENT-EDBBD70089D0ITX-INGREDIENT-FA48C884186E

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
Mol Wt
606.7190000000004
Cas Id
481-49-2
Smiles
CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Mol Log P
6.87390000000001
Version
v1,v2
In Ch Ikey
YVPXVXANRNDGTA-WDYNHAJCSA-N
Ob Score
77.4176528177.41765377.418
Suppress
0
Tcm Name
台湾千金藤
Tcm Name2
TAI WAN QIAN JIN TENG
Mol2 Path
/TCM_database/2003_3d_all/1299.mol2
Reference
1, 4, 5, 6, 5507
Num Hdonors
0
Tcm Name En
Sasak Stephania*
Drug Likeness
0.245
Num Hacceptors
8
Isomeric Smiles
CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Molecule Weight
606.77
Canonical Smiles
CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
Herb Alias Names
481-49-2Cepharanthin(+)-CepharanthineO-MethylcepharanolineCepharantinCepharanthine [JAN]CCRIS 65396',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthanCepharanthine (TN)
Molecular Weight
606.270
Molecular Weight
606.71
Molecule Formula
C37H38N2O6
Molecular Formula
C37H38N2O6
Molecular Formula
C37H38N2O6
Molecular Formula
C37H38N2O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.967
Quantitative Estimate Of Drug Likeness（Qed）
0.245