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
- 26687
- Core Entity Id
- 32852
- Source Entity Count
- 1
- Preferred Name
- Morusimicacid c
- Name En
- Pubchem Id
- 11812977
- Smiles Canonical
- CC1C(CCC(N1)CCCCCCCCCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O
- Molecular Formula
- C24H45NO9
- Molecular Weight
- 491.6220
- Inchikey
- TYCHJCWFXCTGEJ-JVDSRXGHSA-N
- Inchi
- InChI=1S/C24H45NO9/c1-15-18(27)12-11-16(25-15)9-7-5-3-2-4-6-8-10-17(13-20(28)29)33-24-23(32)22(31)21(30)19(14-26)34-24/h15-19,21-27,30-32H,2-14H2,1H3,(H,28,29)/t15-,16+,17+,18+,19+,21+,22-,23+,24+/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H](CC[C@H](N1)CCCCCCCCC[C@H](CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6585
- Num H Donors
- 7
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.1620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Morusimic acid C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Morusimicacid C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Morusimicacid c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Morusimicacid c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
morusimicacid c
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Morusimic acid C
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035787
Tcmid
14983
Sym Map
SMIT25503
Pub Chem
11812977
Tcmbank
TCMBANKIN022100
Etcm Ingredient
Morusimic acid C
Itcmdb Generated
ITX-INGREDIENT-C761DAD7682DITX-INGREDIENT-CF1EAA29CFCC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H45NO9/c1-15-18(27)12-11-16(25-15)9-7-5-3-2-4-6-8-10-17(13-20(28)29)33-24-23(32)22(31)21(30)19(14-26)34-24/h15-19,21-27,30-32H,2-14H2,1H3,(H,28,29)/t15-,16+,17+,18+,19+,21+,22-,23+,24+/m0/s1
Mol Wt
491.6220000000001
Smiles
CC1C(CCC(N1)CCCCCCCCCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O
Mol Log P
0.6585000000000012
Version
v2
In Ch Ikey
TYCHJCWFXCTGEJ-JVDSRXGHSA-N
Suppress
0
Num Hdonors
7
Drug Likeness
0.162
Num Hacceptors
9
Isomeric Smiles
C[C@H]1[C@@H](CC[C@H](N1)CCCCCCCCC[C@H](CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Canonical Smiles
CC1C(CCC(N1)CCCCCCCCCC(CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O)O
Molecular Weight
491.310
Molecular Weight
491.6 g/mol
Molecular Formula
C24H45NO9
Molecular Formula
C24H45NO9
Molecular Formula
C24H45NO9
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.927
Quantitative Estimate Of Drug Likeness（Qed）
0.162