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
- 14061
- Core Entity Id
- 18797
- Source Entity Count
- 1
- Preferred Name
- Cephalofortuneine
- Name En
- Pubchem Id
- 625285
- Smiles Canonical
- COC1CC23C(=CC1O)C(CN2CCCC4=CC(=C(C=C34)OC)OC)O
- Molecular Formula
- C20H27NO5
- Molecular Weight
- 361.4380
- Inchikey
- UEGWMHGITVWRJW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H27NO5/c1-24-17-7-12-5-4-6-21-11-16(23)14-8-15(22)19(26-3)10-20(14,21)13(12)9-18(17)25-2/h7-9,15-16,19,22-23H,4-6,10-11H2,1-3H3
- Isomeric Smiles
- COC1CC23C(=CC1O)C(CN2CCCC4=CC(=C(C=C34)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 1.2278
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cephalofortuneine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cephalofortuneine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cephalofortuneine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cephalofortuneine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,5,17-trimethoxy-11-azatetracyclo(9.7.0.01,14.02,7)octadeca-2,4,6,14-tetraene-13,16-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-13,16-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
68156-55-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
68156-55-8
Role
alias
Source
HERB_v2
Preferred
No
Name
8,9,12-Trimethoxy-1,5,6,11,12,13-hexahydro-2H,4H-indolo[7a,1-a][2]benzazepine-1,13-diol #
Role
alias
Source
HERB_v2
Preferred
No
Name
8,9,12-Trimethoxy-1,5,6,11,12,13-hexahydro-2H,4H-indolo[7a,1-a][2]benzazepine-1,13-diol #
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4,5,17-trimethoxy-11-azatetracyclo(9.7.0.01,14.02,7)octadeca-2,4,6,14-tetraene-13,16-diol4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-13,16-diol68156-55-88,9,12-Trimethoxy-1,5,6,11,12,13-hexahydro-2H,4H-indolo[7a,1-a][2]benzazepine-1,13-diol #
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020108
Npass
NPC103343
Tcmid
3401
Pub Chem
625285
Tcmbank
TCMBANKIN006886
Etcm Ingredient
Cephalofortuneine
Itcmdb Generated
ITX-INGREDIENT-FA59237C9B56
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H27NO5/c1-24-17-7-12-5-4-6-21-11-16(23)14-8-15(22)19(26-3)10-20(14,21)13(12)9-18(17)25-2/h7-9,15-16,19,22-23H,4-6,10-11H2,1-3H3
Mol Wt
361.4380000000001
Smiles
COC1CC23C(=CC1O)C(CN2CCCC4=CC(=C(C=C34)OC)OC)O
Mol Log P
1.2278
In Ch Ikey
UEGWMHGITVWRJW-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.789
Num Hacceptors
6
Isomeric Smiles
COC1CC23C(=CC1O)C(CN2CCCC4=CC(=C(C=C34)OC)OC)O
Canonical Smiles
COC1CC23C(=CC1O)C(CN2CCCC4=CC(=C(C=C34)OC)OC)O
Herb Alias Names
4,5,17-trimethoxy-11-azatetracyclo(9.7.0.01,14.02,7)octadeca-2,4,6,14-tetraene-13,16-diol4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,14-tetraene-13,16-diol68156-55-88,9,12-Trimethoxy-1,5,6,11,12,13-hexahydro-2H,4H-indolo[7a,1-a][2]benzazepine-1,13-diol #
Molecular Weight
361.190
Molecular Weight
361.4 g/mol
Molecular Formula
C20H27NO5
Molecular Formula
C20H27NO5
Molecular Formula
C20H27NO5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.877
Quantitative Estimate Of Drug Likeness（Qed）
0.789