Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15055
- Core Entity Id
- 19899
- Source Entity Count
- 1
- Preferred Name
- Complanatine
- Name En
- Pubchem Id
- 5316027
- Smiles Canonical
- CC1CC2CC(C3CCCN4C3(C1)C2CCC4)O
- Molecular Formula
- C16H27NO
- Molecular Weight
- 249.3980
- Inchikey
- ICWQJNDZXVMLCK-BAPHQMLMSA-N
- Inchi
- InChI=1S/C16H27NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-15,18H,2-10H2,1H3/t11?,12?,13?,14?,15-,16?/m1/s1
- Isomeric Smiles
- CC1CC2C[C@H](C3CCCN4C3(C1)C2CCC4)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6579
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Complanatine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Complanatine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Complanatine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
complanatine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(11R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(11R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229085
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229085
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(11R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-olCHEBI:229085
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021314
Npass
NPC103239
Tcmid
3948
Pub Chem
5316027
Tcmbank
TCMBANKIN021100
Etcm Ingredient
Complanatine
Itcmdb Generated
ITX-INGREDIENT-CA2E834BD13C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H27NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-15,18H,2-10H2,1H3/t11?,12?,13?,14?,15-,16?/m1/s1
Mol Wt
249.3979999999999
Smiles
CC1CC2CC(C3CCCN4C3(C1)C2CCC4)O
Mol Log P
2.657900000000001
In Ch Ikey
ICWQJNDZXVMLCK-BAPHQMLMSA-N
Num Hdonors
1
Drug Likeness
0.713
Num Hacceptors
2
Isomeric Smiles
CC1CC2C[C@H](C3CCCN4C3(C1)C2CCC4)O
Canonical Smiles
CC1CC2CC(C3CCCN4C3(C1)C2CCC4)O
Herb Alias Names
CHEBI:229085(11R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-ol
Molecular Weight
249.210
Molecular Formula
C16H27NO
Molecular Formula
C16H27NO
Molecular Formula
C16H27NO
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.264
Quantitative Estimate Of Drug Likeness（Qed）
0.713