Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26731
- Core Entity Id
- 32903
- Source Entity Count
- 1
- Preferred Name
- Mucronatinine
- Name En
- Pubchem Id
- 91750128
- Smiles Canonical
- CCC1(C(CC(=CC)C(=O)OC2CCN3C2C(=CC3)COC1=O)C)O
- Molecular Formula
- C19H27NO5
- Molecular Weight
- 349.4270
- Inchikey
- FPRDBFWVOJWDMI-RRPBREJRSA-N
- Inchi
- InChI=1S/C19H27NO5/c1-4-13-10-12(3)19(23,5-2)18(22)24-11-14-6-8-20-9-7-15(16(14)20)25-17(13)21/h4,6,12,15-16,23H,5,7-11H2,1-3H3/b13-4-/t12-,15-,16?,19-/m1/s1
- Isomeric Smiles
- CC[C@]1([C@@H](C/C(=C/C)/C(=O)O[C@@H]2CCN3C2C(=CC3)COC1=O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5829
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mucronatinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mucronatinine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Mucronatinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
mucronatinine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
FPRDBFWVOJWDMI-RRPBREJRSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
FPRDBFWVOJWDMI-RRPBREJRSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
FPRDBFWVOJWDMI-RRPBREJRSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035844
Tcmid
15010
Pub Chem
91750128
Tcmbank
TCMBANKIN034136
Etcm Ingredient
Mucronatinine
Itcmdb Generated
ITX-INGREDIENT-791AC97A87AF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H27NO5/c1-4-13-10-12(3)19(23,5-2)18(22)24-11-14-6-8-20-9-7-15(16(14)20)25-17(13)21/h4,6,12,15-16,23H,5,7-11H2,1-3H3/b13-4-/t12-,15-,16?,19-/m1/s1
Mol Wt
349.4270000000001
Smiles
CCC1(C(CC(=CC)C(=O)OC2CCN3C2C(=CC3)COC1=O)C)O
Mol Log P
1.5829
In Ch Ikey
FPRDBFWVOJWDMI-RRPBREJRSA-N
Num Hdonors
1
Drug Likeness
0.44
Num Hacceptors
6
Isomeric Smiles
CC[C@]1([C@@H](C/C(=C/C)/C(=O)O[C@@H]2CCN3C2C(=CC3)COC1=O)C)O
Canonical Smiles
CCC1(C(CC(=CC)C(=O)OC2CCN3C2C(=CC3)COC1=O)C)O
Herb Alias Names
FPRDBFWVOJWDMI-RRPBREJRSA-N
Molecular Weight
351.170
Molecular Weight
349.4 g/mol
Molecular Formula
C18H25NO6
Molecular Formula
C19H27NO5
Molecular Formula
C19H27NO5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.933
Quantitative Estimate Of Drug Likeness（Qed）
0.395