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
- 8320
- Core Entity Id
- 12418
- Source Entity Count
- 1
- Preferred Name
- 7-deoxycephalofortuneine
- Name En
- Pubchem Id
- 5316553
- Smiles Canonical
- COC1CC23C(=CC1O)CCN2CCCC4=CC(=C(C=C34)OC)OC
- Molecular Formula
- C20H27NO4
- Molecular Weight
- 345.4390
- Inchikey
- ZBIQTIQJLXNQFZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H27NO4/c1-23-17-9-13-5-4-7-21-8-6-14-10-16(22)19(25-3)12-20(14,21)15(13)11-18(17)24-2/h9-11,16,19,22H,4-8,12H2,1-3H3
- Isomeric Smiles
- COC1CC23C(=CC1O)CCN2CCCC4=CC(=C(C=C34)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.2570
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Deoxycephalofortuneine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-deoxycephalofortuneine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-deoxycephalofortuneine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-deoxycephalofortuneine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013159
Npass
NPC68811
Tcmid
5159
Pub Chem
5316553
Tcmbank
TCMBANKIN022309
Etcm Ingredient
7-Deoxycephalofortuneine
Itcmdb Generated
ITX-INGREDIENT-F52986E4C1BB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H27NO4/c1-23-17-9-13-5-4-7-21-8-6-14-10-16(22)19(25-3)12-20(14,21)15(13)11-18(17)24-2/h9-11,16,19,22H,4-8,12H2,1-3H3
Mol Wt
345.4390000000001
Smiles
COC1CC23C(=CC1O)CCN2CCCC4=CC(=C(C=C34)OC)OC
Mol Log P
2.257000000000001
In Ch Ikey
ZBIQTIQJLXNQFZ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.852
Num Hacceptors
5
Isomeric Smiles
COC1CC23C(=CC1O)CCN2CCCC4=CC(=C(C=C34)OC)OC
Canonical Smiles
COC1CC23C(=CC1O)CCN2CCCC4=CC(=C(C=C34)OC)OC
Molecular Weight
345.190
Molecular Formula
C20H27NO4
Molecular Formula
C20H27NO4
Molecular Formula
C20H27NO4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.912
Quantitative Estimate Of Drug Likeness（Qed）
0.852