Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 20Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70020
- Core Entity Id
- 132669
- Source Entity Count
- 1
- Preferred Name
- Angiotensinum II [INN-Latin]
- Name En
- Pubchem Id
- 25476
- Smiles Canonical
- CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N
- Molecular Formula
- C50H71N13O12
- Molecular Weight
- 1045.5300
- Inchikey
- CZGUSIXMZVURDU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.7000
- Num H Donors
- 13
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 29
- Drug Likeness
- Polar Surface Area
- 409.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Angiotensinum II [INN-Latin]
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Angiotensinum II [INN-Latin]
Itcmdb Generated
ITX-INGREDIENT-CD9395EA7160
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
1045.530
Molecular Formula
C50H71N13O12
Fda Maximum Daily Dose (Fdamdd)
0.287
Quantitative Estimate Of Drug Likeness（Qed）
0.022