Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25723
- Core Entity Id
- 31787
- Source Entity Count
- 1
- Preferred Name
- Mauritine b
- Name En
- Pubchem Id
- 102353415
- Smiles Canonical
- CCC(C)C(C(=O)NC(C(C)C)C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=CC=C(O2)C=C3)CC4=CC=CC=C4)N(C)C
- Molecular Formula
- C35H47N5O5
- Molecular Weight
- 617.7910
- Inchikey
- WUCBFSOLOVAHQC-VSMSEKFXSA-N
- Inchi
- InChI=1S/C35H47N5O5/c1-7-23(4)30(39(5)6)33(42)38-29(22(2)3)35(44)40-20-18-28-31(40)34(43)37-27(21-25-11-9-8-10-12-25)32(41)36-19-17-24-13-15-26(45-28)16-14-24/h8-17,19,22-23,27-31H,7,18,20-21H2,1-6H3,(H,36,41)(H,37,43)(H,38,42)/b19-17+/t23-,27-,28-,29-,30-,31-/m0/s1
- Isomeric Smiles
- CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@H](C(=O)N/C=C/C3=CC=C(O2)C=C3)CC4=CC=CC=C4)N(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9800
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.3980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mauritine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Mauritine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Mauritine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
缅枣
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MIAN ZAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indian Jujube
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
缅枣MIAN ZAOIndian Jujube
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034567
Tcmid
13607
Pub Chem
102353415
Tcmbank
TCMBANKIN028676TCMBANKIN050169
Itcmdb Generated
ITX-INGREDIENT-EE0AF32B588B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C35H47N5O5/c1-7-23(4)30(39(5)6)33(42)38-29(22(2)3)35(44)40-20-18-28-31(40)34(43)37-27(21-25-11-9-8-10-12-25)32(41)36-19-17-24-13-15-26(45-28)16-14-24/h8-17,19,22-23,27-31H,7,18,20-21H2,1-6H3,(H,36,41)(H,37,43)(H,38,42)/b19-17+/t23-,27-,28-,29-,30-,31-/m0/s1
Mol Wt
617.7910000000002
Smiles
CCC(C)C(C(=O)NC(C(C)C)C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=CC=C(O2)C=C3)CC4=CC=CC=C4)N(C)C
Mol Log P
2.980000000000004
In Ch Ikey
WUCBFSOLOVAHQC-VSMSEKFXSA-N
Tcm Name
缅枣
Tcm Name2
MIAN ZAO
Mol2 Path
/TCM_database/2007_3d_all/13614.mol2
Reference
6
Num Hdonors
3
Tcm Name En
Indian Jujube
Drug Likeness
0.398
Num Hacceptors
6
Isomeric Smiles
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H]2[C@H]1C(=O)N[C@H](C(=O)N/C=C/C3=CC=C(O2)C=C3)CC4=CC=CC=C4)N(C)C
Canonical Smiles
CCC(C)C(C(=O)NC(C(C)C)C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=CC=C(O2)C=C3)CC4=CC=CC=C4)N(C)C
Molecular Weight
617.8 g/mol
Molecular Formula
C35H47N5O5
Molecular Formula
C35H47N5O5
Num Rotatable Bonds
9