Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31739
- Core Entity Id
- 38467
- Source Entity Count
- 1
- Preferred Name
- Rescinnamine
- Name En
- Pubchem Id
- 5280954
- Smiles Canonical
- COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC
- Molecular Formula
- C35H42N2O9
- Molecular Weight
- 634.7260
- Inchikey
- SZLZWPPUNLXJEA-QEGASFHISA-N
- Inchi
- InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
- Isomeric Smiles
- CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.5707
- Num H Donors
- 1
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.2650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rescinnamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Rescinnamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rescinnamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
rescinnamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
24815-24-5
Role
alias
Source
HERB_v2
Preferred
No
Name
24815-24-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cartric
Role
alias
Source
HERB_v2
Preferred
No
Name
Cartric
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinnaloid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cinnaloid
Role
alias
Source
HERB_v2
Preferred
No
Name
Moderil
Role
alias
Source
HERB_v2
Preferred
No
Name
Moderil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rescinnamin
Role
alias
Source
HERB_v2
Preferred
No
Name
Rescinnamin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rescisan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rescisan
Role
alias
Source
HERB_v2
Preferred
No
Name
Resealoid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Resealoid
Role
alias
Source
HERB_v2
Preferred
No
Name
Reserpinine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Reserpinine
Role
alias
Source
HERB_v2
Preferred
No
Name
Scinnamina
Role
alias
Source
HERB_v2
Preferred
No
Name
Scinnamina
Role
alias
Source
itcmdb_public
Preferred
No
Name
光亮萝芙木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG LIANG LUO FU MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shining Devilpepper*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
24815-24-5CartricCinnaloidModerilRescinnaminRescisanResealoidReserpinineScinnamina光亮萝芙木GUANG LIANG LUO FU MUShining Devilpepper*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042091
Npass
NPC284685
Tcmid
18615
Tcm Id
11392377323774
Pub Chem
5280954
Tcmbank
TCMBANKIN008125TCMBANKIN054209
Etcm Ingredient
Rescinnamine
Itcmdb Generated
ITX-INGREDIENT-614E69F7FB65ITX-INGREDIENT-99CDBAB3CE2D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
Mol Wt
634.7260000000002
Smiles
COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC
Mol Log P
4.570700000000004
In Ch Ikey
SZLZWPPUNLXJEA-QEGASFHISA-N
Tcm Name
光亮萝芙木
Tcm Name2
GUANG LIANG LUO FU MU
Mol2 Path
/TCM_database/2003_3d_all/7284.mol2
Reference
661
Num Hdonors
1
Tcm Name En
Shining Devilpepper*
Drug Likeness
0.265
Num Hacceptors
10
Isomeric Smiles
CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC
Canonical Smiles
COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C=CC6=CC(=C(C(=C6)OC)OC)OC
Herb Alias Names
Reserpinine24815-24-5RescinnaminCinnaloidModerilRescisanResealoidScinnaminaCartric
Molecular Weight
634.290
Molecular Weight
634.7 g/mol
Molecular Formula
C35H42N2O9
Molecular Formula
C35H42N2O9
Molecular Formula
C35H42N2O9
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.960
Quantitative Estimate Of Drug Likeness（Qed）
0.265